data_19821 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19821 _Entry.PDB_ID 2MLG save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 19821 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 4 4 LEU N N 4 125.414 125.414 121.251 4.163 19821 2 1 1 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.144 0.208 19821 3 1 1 . 1 1 4 4 LEU CA C 4 54.670 54.670 56.868 -2.198 19821 4 1 1 . 1 1 4 4 LEU H H 4 7.844 7.844 8.165 -0.321 19821 5 1 1 . 1 1 5 5 SER N N 5 120.078 120.078 111.790 8.288 19821 6 1 1 . 1 1 5 5 SER HA H 5 4.279 4.279 4.256 0.023 19821 7 1 1 . 1 1 5 5 SER CA C 5 57.119 57.119 58.837 -1.718 19821 8 1 1 . 1 1 5 5 SER H H 5 8.615 8.615 8.022 0.593 19821 9 1 1 . 1 1 6 6 LEU N N 6 124.468 124.468 119.178 5.290 19821 10 1 1 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.661 -0.738 19821 11 1 1 . 1 1 6 6 LEU CA C 6 58.493 58.493 53.575 4.918 19821 12 1 1 . 1 1 6 6 LEU H H 6 8.719 8.719 7.372 1.347 19821 13 1 1 . 1 1 7 7 THR N N 7 115.018 115.018 114.536 0.482 19821 14 1 1 . 1 1 7 7 THR HA H 7 3.344 3.344 4.399 -1.055 19821 15 1 1 . 1 1 7 7 THR CA C 7 68.469 68.469 61.325 7.144 19821 16 1 1 . 1 1 7 7 THR H H 7 7.986 7.986 8.836 -0.850 19821 17 1 1 . 1 1 8 8 GLN N N 8 120.628 120.628 120.569 0.059 19821 18 1 1 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.168 -0.439 19821 19 1 1 . 1 1 8 8 GLN CA C 8 59.628 59.628 59.339 0.289 19821 20 1 1 . 1 1 8 8 GLN H H 8 7.398 7.398 8.887 -1.489 19821 21 1 1 . 1 1 9 9 LEU N N 9 121.103 121.103 121.312 -0.209 19821 22 1 1 . 1 1 9 9 LEU HA H 9 3.959 3.959 4.003 -0.044 19821 23 1 1 . 1 1 9 9 LEU CA C 9 58.553 58.553 59.789 -1.236 19821 24 1 1 . 1 1 9 9 LEU H H 9 8.324 8.324 8.207 0.117 19821 25 1 1 . 1 1 10 10 ILE N N 10 119.788 119.788 122.233 -2.445 19821 26 1 1 . 1 1 10 10 ILE HA H 10 3.226 3.226 3.885 -0.659 19821 27 1 1 . 1 1 10 10 ILE CA C 10 66.319 66.319 64.772 1.548 19821 28 1 1 . 1 1 10 10 ILE H H 10 8.149 8.149 7.921 0.228 19821 29 1 1 . 1 1 11 11 LEU N N 11 119.842 119.842 120.660 -0.818 19821 30 1 1 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.191 -0.499 19821 31 1 1 . 1 1 11 11 LEU CA C 11 58.911 58.911 58.219 0.692 19821 32 1 1 . 1 1 11 11 LEU H H 11 7.847 7.847 8.543 -0.696 19821 33 1 1 . 1 1 12 12 ILE N N 12 123.069 123.069 119.338 3.731 19821 34 1 1 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.571 -0.052 19821 35 1 1 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.485 -0.242 19821 36 1 1 . 1 1 12 12 ILE H H 12 8.323 8.323 7.781 0.542 19821 37 1 1 . 1 1 13 13 ARG N N 13 124.216 124.216 119.485 4.731 19821 38 1 1 . 1 1 13 13 ARG HA H 13 3.619 3.619 3.922 -0.303 19821 39 1 1 . 1 1 13 13 ARG CA C 13 57.717 57.717 59.449 -1.732 19821 40 1 1 . 1 1 13 13 ARG H H 13 7.796 7.796 7.877 -0.081 19821 41 1 1 . 1 1 14 14 LEU N N 14 118.657 118.657 118.895 -0.238 19821 42 1 1 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.857 0.514 19821 43 1 1 . 1 1 14 14 LEU CA C 14 56.641 56.641 58.683 -2.042 19821 44 1 1 . 1 1 14 14 LEU H H 14 8.450 8.450 8.447 0.003 19821 45 1 1 . 1 1 15 15 SER N N 15 116.873 116.873 115.785 1.088 19821 46 1 1 . 1 1 15 15 SER HA H 15 3.949 3.949 3.899 0.050 19821 47 1 1 . 1 1 15 15 SER CA C 15 61.540 61.540 60.407 1.133 19821 48 1 1 . 1 1 15 15 SER H H 15 7.864 7.864 7.989 -0.125 19821 49 1 1 . 1 1 16 16 ASN N N 16 118.994 118.994 116.284 2.710 19821 50 1 1 . 1 1 16 16 ASN HA H 16 4.491 4.491 5.020 -0.529 19821 51 1 1 . 1 1 16 16 ASN CA C 16 55.626 55.626 54.753 0.873 19821 52 1 1 . 1 1 16 16 ASN H H 16 7.804 7.804 8.371 -0.567 19821 53 1 1 . 1 1 17 17 ARG N N 17 117.557 117.557 119.972 -2.415 19821 54 1 1 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.060 0.237 19821 55 1 1 . 1 1 17 17 ARG CA C 17 54.610 54.610 58.857 -4.247 19821 56 1 1 . 1 1 17 17 ARG H H 17 8.343 8.343 8.086 0.257 19821 57 1 1 . 1 1 18 18 GLY N N 18 110.623 110.623 108.260 2.363 19821 58 1 1 . 1 1 18 18 GLY CA C 18 44.455 44.455 47.084 -2.630 19821 59 1 1 . 1 1 18 18 GLY H H 18 7.303 7.303 7.638 -0.335 19821 60 1 1 . 1 1 19 19 CYS N N 19 117.667 117.667 117.945 -0.278 19821 61 1 1 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.734 0.168 19821 62 1 1 . 1 1 19 19 CYS CA C 19 58.254 58.254 57.279 0.975 19821 63 1 1 . 1 1 19 19 CYS H H 19 7.950 7.950 7.848 0.102 19821 64 1 1 . 1 1 20 20 GLN N N 20 121.882 121.882 122.664 -0.782 19821 65 1 1 . 1 1 20 20 GLN HA H 20 5.104 5.104 4.074 1.030 19821 66 1 1 . 1 1 20 20 GLN CA C 20 53.714 53.714 57.853 -4.139 19821 67 1 1 . 1 1 20 20 GLN H H 20 8.615 8.615 8.787 -0.172 19821 68 1 1 . 1 1 21 21 THR N N 21 116.183 116.183 113.986 2.197 19821 69 1 1 . 1 1 21 21 THR HA H 21 4.847 4.847 5.564 -0.717 19821 70 1 1 . 1 1 21 21 THR CA C 21 60.763 60.763 60.044 0.719 19821 71 1 1 . 1 1 21 21 THR H H 21 9.557 9.557 7.692 1.865 19821 72 1 1 . 1 1 22 22 LEU N N 22 123.325 123.325 128.246 -4.921 19821 73 1 1 . 1 1 22 22 LEU HA H 22 3.777 3.777 5.144 -1.367 19821 74 1 1 . 1 1 22 22 LEU CA C 22 59.270 59.270 52.553 6.717 19821 75 1 1 . 1 1 22 22 LEU H H 22 9.257 9.257 8.896 0.361 19821 76 1 1 . 1 1 23 23 GLU N N 23 120.097 120.097 117.852 2.245 19821 77 1 1 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.566 -0.643 19821 78 1 1 . 1 1 23 23 GLU CA C 23 61.241 61.241 54.809 6.432 19821 79 1 1 . 1 1 23 23 GLU H H 23 9.030 9.030 9.347 -0.317 19821 80 1 1 . 1 1 24 24 GLU N N 24 122.438 122.438 121.941 0.497 19821 81 1 1 . 1 1 24 24 GLU HA H 24 3.912 3.912 4.049 -0.137 19821 82 1 1 . 1 1 24 24 GLU CA C 24 59.270 59.270 59.970 -0.700 19821 83 1 1 . 1 1 24 24 GLU H H 24 7.734 7.734 9.077 -1.343 19821 84 1 1 . 1 1 25 25 LEU N N 25 123.263 123.263 119.265 3.998 19821 85 1 1 . 1 1 25 25 LEU HA H 25 4.132 4.132 4.185 -0.053 19821 86 1 1 . 1 1 25 25 LEU CA C 25 58.314 58.314 58.000 0.314 19821 87 1 1 . 1 1 25 25 LEU H H 25 8.350 8.350 8.363 -0.013 19821 88 1 1 . 1 1 26 26 GLU N N 26 129.504 129.504 120.407 9.097 19821 89 1 1 . 1 1 26 26 GLU HA H 26 3.601 3.601 4.118 -0.517 19821 90 1 1 . 1 1 26 26 GLU CA C 26 60.942 60.942 59.190 1.752 19821 91 1 1 . 1 1 26 26 GLU H H 26 9.362 9.362 7.962 1.400 19821 92 1 1 . 1 1 27 27 GLU N N 27 121.392 121.392 118.499 2.893 19821 93 1 1 . 1 1 27 27 GLU HA H 27 3.857 3.857 4.082 -0.225 19821 94 1 1 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.510 -0.121 19821 95 1 1 . 1 1 27 27 GLU H H 27 7.741 7.741 8.614 -0.873 19821 96 1 1 . 1 1 28 28 PHE N N 28 117.204 117.204 120.966 -3.762 19821 97 1 1 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.168 0.129 19821 98 1 1 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.271 -0.448 19821 99 1 1 . 1 1 28 28 PHE H H 28 7.392 7.392 8.375 -0.983 19821 100 1 1 . 1 1 29 29 THR N N 29 107.601 107.601 112.676 -5.075 19821 101 1 1 . 1 1 29 29 THR HA H 29 3.472 3.472 4.050 -0.578 19821 102 1 1 . 1 1 29 29 THR CA C 29 63.989 63.989 64.277 -0.288 19821 103 1 1 . 1 1 29 29 THR H H 29 8.220 8.220 7.835 0.386 19821 104 1 1 . 1 1 30 30 GLN N N 30 116.862 116.862 118.056 -1.194 19821 105 1 1 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.144 -0.415 19821 106 1 1 . 1 1 30 30 GLN CA C 30 57.478 57.478 58.629 -1.151 19821 107 1 1 . 1 1 30 30 GLN H H 30 7.974 7.974 7.991 -0.017 19821 108 1 1 . 1 1 31 31 ALA N N 31 122.778 122.778 118.574 4.204 19821 109 1 1 . 1 1 31 31 ALA HA H 31 4.213 4.213 4.030 0.183 19821 110 1 1 . 1 1 31 31 ALA CA C 31 51.265 51.265 53.391 -2.126 19821 111 1 1 . 1 1 31 31 ALA H H 31 7.384 7.384 8.031 -0.647 19821 112 1 1 . 1 1 32 32 LYS N N 32 121.107 121.107 117.209 3.898 19821 113 1 1 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.957 0.102 19821 114 1 1 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.553 -1.270 19821 115 1 1 . 1 1 32 32 LYS H H 32 8.194 8.194 8.044 0.150 19821 116 1 1 . 1 1 33 33 ARG N N 33 126.754 126.754 119.070 7.684 19821 117 1 1 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.508 -0.239 19821 118 1 1 . 1 1 33 33 ARG CA C 33 61.002 61.002 55.257 5.745 19821 119 1 1 . 1 1 33 33 ARG H H 33 8.690 8.690 7.747 0.943 19821 120 1 1 . 1 1 34 34 GLU N N 34 117.537 117.537 119.399 -1.862 19821 121 1 1 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.279 -0.422 19821 122 1 1 . 1 1 34 34 GLU CA C 34 60.619 60.619 56.766 3.853 19821 123 1 1 . 1 1 34 34 GLU H H 34 9.236 9.236 8.539 0.697 19821 124 1 1 . 1 1 35 35 VAL N N 35 121.054 121.054 123.402 -2.348 19821 125 1 1 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.708 -0.034 19821 126 1 1 . 1 1 35 35 VAL CA C 35 65.064 65.064 66.964 -1.900 19821 127 1 1 . 1 1 35 35 VAL H H 35 6.681 6.681 8.845 -2.164 19821 128 1 1 . 1 1 36 36 LEU N N 36 126.417 126.417 120.804 5.613 19821 129 1 1 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.099 -0.480 19821 130 1 1 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.797 0.995 19821 131 1 1 . 1 1 36 36 LEU H H 36 8.140 8.140 8.585 -0.445 19821 132 1 1 . 1 1 37 37 LEU N N 37 120.272 120.272 120.983 -0.711 19821 133 1 1 . 1 1 37 37 LEU HA H 37 3.766 3.766 3.914 -0.148 19821 134 1 1 . 1 1 37 37 LEU CA C 37 58.911 58.911 58.227 0.684 19821 135 1 1 . 1 1 37 37 LEU H H 37 8.492 8.492 7.965 0.527 19821 136 1 1 . 1 1 38 38 VAL N N 38 122.614 122.614 118.328 4.286 19821 137 1 1 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.744 -0.143 19821 138 1 1 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.225 1.691 19821 139 1 1 . 1 1 38 38 VAL H H 38 7.508 7.508 7.887 -0.379 19821 140 1 1 . 1 1 39 39 THR N N 39 120.141 120.141 112.944 7.197 19821 141 1 1 . 1 1 39 39 THR HA H 39 3.678 3.678 3.873 -0.195 19821 142 1 1 . 1 1 39 39 THR CA C 39 67.812 67.812 65.168 2.644 19821 143 1 1 . 1 1 39 39 THR H H 39 7.626 7.626 8.011 -0.385 19821 144 1 1 . 1 1 40 40 LEU N N 40 123.404 123.404 121.510 1.894 19821 145 1 1 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.743 -0.114 19821 146 1 1 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.699 -1.266 19821 147 1 1 . 1 1 40 40 LEU H H 40 8.644 8.644 7.984 0.660 19821 148 1 1 . 1 1 41 41 THR N N 41 119.278 119.278 116.397 2.881 19821 149 1 1 . 1 1 41 41 THR HA H 41 3.839 3.839 4.032 -0.193 19821 150 1 1 . 1 1 41 41 THR CA C 41 67.573 67.573 67.485 0.088 19821 151 1 1 . 1 1 41 41 THR H H 41 8.169 8.169 7.517 0.652 19821 152 1 1 . 1 1 42 42 ARG N N 42 124.625 124.625 120.531 4.094 19821 153 1 1 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.857 0.147 19821 154 1 1 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.213 0.654 19821 155 1 1 . 1 1 42 42 ARG H H 42 7.748 7.748 8.382 -0.634 19821 156 1 1 . 1 1 43 43 LEU N N 43 120.115 120.115 122.359 -2.244 19821 157 1 1 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.121 -0.227 19821 158 1 1 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.314 -2.179 19821 159 1 1 . 1 1 43 43 LEU H H 43 7.963 7.963 8.457 -0.494 19821 160 1 1 . 1 1 44 44 HIS N N 44 123.297 123.297 120.459 2.838 19821 161 1 1 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.313 0.094 19821 162 1 1 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.429 0.259 19821 163 1 1 . 1 1 44 44 HIS H H 44 8.454 8.454 7.916 0.538 19821 164 1 1 . 1 1 45 45 GLN N N 45 124.648 124.648 117.605 7.043 19821 165 1 1 . 1 1 45 45 GLN HA H 45 3.821 3.821 4.026 -0.205 19821 166 1 1 . 1 1 45 45 GLN CA C 45 59.270 59.270 58.380 0.890 19821 167 1 1 . 1 1 45 45 GLN H H 45 8.626 8.626 8.278 0.348 19821 168 1 1 . 1 1 46 46 ARG N N 46 117.047 117.047 121.245 -4.198 19821 169 1 1 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.208 -0.039 19821 170 1 1 . 1 1 46 46 ARG CA C 46 56.641 56.641 59.461 -2.820 19821 171 1 1 . 1 1 46 46 ARG H H 46 7.628 7.628 8.251 -0.623 19821 172 1 1 . 1 1 47 47 GLY N N 47 109.401 109.401 108.127 1.274 19821 173 1 1 . 1 1 47 47 GLY CA C 47 46.128 46.128 47.573 -1.445 19821 174 1 1 . 1 1 47 47 GLY H H 47 7.763 7.763 8.433 -0.670 19821 175 1 1 . 1 1 48 48 VAL N N 48 118.932 118.932 115.817 3.115 19821 176 1 1 . 1 1 48 48 VAL HA H 48 3.801 3.801 4.083 -0.282 19821 177 1 1 . 1 1 48 48 VAL CA C 48 64.168 64.168 61.989 2.179 19821 178 1 1 . 1 1 48 48 VAL H H 48 7.787 7.787 7.336 0.451 19821 179 1 1 . 1 1 49 49 ILE N N 49 110.494 110.494 119.266 -8.772 19821 180 1 1 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.452 1.762 19821 181 1 1 . 1 1 49 49 ILE CA C 49 58.075 58.075 61.719 -3.644 19821 182 1 1 . 1 1 49 49 ILE H H 49 6.766 6.766 7.407 -0.641 19821 183 1 1 . 1 1 50 50 TYR N N 50 120.330 120.330 119.875 0.455 19821 184 1 1 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.534 0.350 19821 185 1 1 . 1 1 50 50 TYR CA C 50 55.805 55.805 59.593 -3.788 19821 186 1 1 . 1 1 50 50 TYR H H 50 9.025 9.025 8.328 0.697 19821 187 1 1 . 1 1 51 51 ARG N N 51 120.608 120.608 117.820 2.788 19821 188 1 1 . 1 1 51 51 ARG HA H 51 4.957 4.957 5.090 -0.133 19821 189 1 1 . 1 1 51 51 ARG CA C 51 53.834 53.834 54.843 -1.009 19821 190 1 1 . 1 1 51 51 ARG H H 51 8.511 8.511 7.172 1.339 19821 191 1 1 . 1 1 52 52 LYS N N 52 121.992 121.992 126.675 -4.683 19821 192 1 1 . 1 1 52 52 LYS HA H 52 4.371 4.371 4.964 -0.593 19821 193 1 1 . 1 1 52 52 LYS CA C 52 55.626 55.626 54.864 0.762 19821 194 1 1 . 1 1 52 52 LYS H H 52 8.324 8.324 9.557 -1.233 19821 195 1 1 . 1 1 53 53 TRP N N 53 121.803 121.803 120.022 1.781 19821 196 1 1 . 1 1 53 53 TRP HA H 53 4.996 4.996 5.436 -0.440 19821 197 1 1 . 1 1 53 53 TRP CA C 53 56.462 56.462 55.066 1.397 19821 198 1 1 . 1 1 53 53 TRP H H 53 8.457 8.457 8.737 -0.280 19821 199 1 1 . 1 1 54 54 ARG N N 54 127.059 127.059 122.791 4.268 19821 200 1 1 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.583 -0.121 19821 201 1 1 . 1 1 54 54 ARG CA C 54 55.088 55.088 55.076 0.012 19821 202 1 1 . 1 1 54 54 ARG H H 54 9.555 9.555 8.251 1.304 19821 203 1 1 . 1 1 55 55 HIS N N 55 127.930 127.930 121.696 6.234 19821 204 1 1 . 1 1 55 55 HIS HA H 55 5.089 5.089 4.946 0.143 19821 205 1 1 . 1 1 55 55 HIS CA C 55 55.984 55.984 56.112 -0.128 19821 206 1 1 . 1 1 55 55 HIS H H 55 9.019 9.019 8.701 0.318 19821 207 1 1 . 1 1 56 56 PHE N N 56 125.912 125.912 123.293 2.619 19821 208 1 1 . 1 1 56 56 PHE HA H 56 4.627 4.627 5.121 -0.494 19821 209 1 1 . 1 1 56 56 PHE CA C 56 58.195 58.195 56.742 1.453 19821 210 1 1 . 1 1 56 56 PHE H H 56 8.707 8.707 9.100 -0.393 19821 211 1 1 . 1 1 57 57 SER N N 57 124.434 124.434 124.001 0.433 19821 212 1 1 . 1 1 57 57 SER HA H 57 3.727 3.727 4.559 -0.832 19821 213 1 1 . 1 1 57 57 SER CA C 57 58.433 58.433 60.045 -1.612 19821 214 1 1 . 1 1 57 57 SER H H 57 8.829 8.829 8.925 -0.096 19821 215 1 1 . 1 1 58 58 GLY N N 58 108.465 108.465 115.959 -7.494 19821 216 1 1 . 1 1 58 58 GLY CA C 58 45.769 45.769 45.403 0.367 19821 217 1 1 . 1 1 58 58 GLY H H 58 8.456 8.456 8.647 -0.191 19821 218 1 1 . 1 1 59 59 ARG N N 59 122.424 122.424 127.004 -4.580 19821 219 1 1 . 1 1 59 59 ARG HA H 59 4.381 4.381 3.751 0.630 19821 220 1 1 . 1 1 59 59 ARG CA C 59 54.849 54.849 56.342 -1.493 19821 221 1 1 . 1 1 59 59 ARG H H 59 7.803 7.803 8.877 -1.074 19821 222 1 1 . 1 1 60 60 LYS N N 60 121.613 121.613 116.887 4.726 19821 223 1 1 . 1 1 60 60 LYS HA H 60 5.041 5.041 4.059 0.982 19821 224 1 1 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.038 -0.915 19821 225 1 1 . 1 1 60 60 LYS H H 60 7.912 7.912 7.997 -0.085 19821 226 1 1 . 1 1 61 61 TYR N N 61 122.435 122.435 120.060 2.375 19821 227 1 1 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.607 0.295 19821 228 1 1 . 1 1 61 61 TYR CA C 61 56.522 56.522 56.458 0.064 19821 229 1 1 . 1 1 61 61 TYR H H 61 8.883 8.883 7.622 1.261 19821 230 1 1 . 1 1 62 62 ARG N N 62 127.580 127.580 123.524 4.056 19821 231 1 1 . 1 1 62 62 ARG HA H 62 3.766 3.766 4.753 -0.988 19821 232 1 1 . 1 1 62 62 ARG CA C 62 56.402 56.402 56.051 0.351 19821 233 1 1 . 1 1 62 62 ARG H H 62 9.197 9.197 8.410 0.787 19821 234 1 1 . 1 1 63 63 GLU N N 63 124.048 124.048 123.809 0.239 19821 235 1 1 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.626 -0.200 19821 236 1 1 . 1 1 63 63 GLU CA C 63 53.834 53.834 54.929 -1.095 19821 237 1 1 . 1 1 63 63 GLU H H 63 8.525 8.525 9.314 -0.789 19821 238 1 1 . 1 1 64 64 TYR N N 64 121.860 121.860 123.616 -1.756 19821 239 1 1 . 1 1 64 64 TYR HA H 64 4.536 4.536 4.428 0.108 19821 240 1 1 . 1 1 64 64 TYR CA C 64 57.358 57.358 56.978 0.380 19821 241 1 1 . 1 1 64 64 TYR H H 64 8.578 8.578 8.696 -0.118 19821 242 1 1 . 1 1 65 65 CYS N N 65 119.180 119.180 122.876 -3.696 19821 243 1 1 . 1 1 65 65 CYS HA H 65 4.756 4.756 4.809 -0.053 19821 244 1 1 . 1 1 65 65 CYS CA C 65 53.177 53.177 56.877 -3.700 19821 245 1 1 . 1 1 65 65 CYS H H 65 8.313 8.313 8.340 -0.027 19821 246 1 1 . 1 1 66 66 LEU N N 66 125.298 125.298 119.834 5.464 19821 247 1 1 . 1 1 66 66 LEU HA H 66 4.151 4.151 5.322 -1.171 19821 248 1 1 . 1 1 66 66 LEU CA C 66 55.805 55.805 53.149 2.656 19821 249 1 1 . 1 1 66 66 LEU H H 66 8.917 8.917 8.885 0.032 19821 250 1 1 . 1 1 67 67 LYS N N 67 126.834 126.834 121.470 5.364 19821 251 1 1 . 1 1 67 67 LYS HA H 67 4.169 4.169 5.294 -1.125 19821 252 1 1 . 1 1 67 67 LYS CA C 67 57.478 57.478 54.297 3.180 19821 253 1 1 . 1 1 67 67 LYS H H 67 7.966 7.966 9.306 -1.340 19821 254 1 1 . 1 1 68 68 HIS N N 68 122.718 122.718 122.189 0.529 19821 255 1 1 . 1 1 68 68 HIS HA H 68 4.583 4.583 4.787 -0.204 19821 256 1 1 . 1 1 68 68 HIS CA C 68 55.566 55.566 55.819 -0.253 19821 257 1 1 . 1 1 68 68 HIS H H 68 8.648 8.648 8.284 0.364 19821 258 1 1 . 1 1 69 69 ARG N N 69 125.371 125.371 122.090 3.281 19821 259 1 1 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.086 0.007 19821 260 1 1 . 1 1 69 69 ARG CA C 69 56.940 56.940 57.533 -0.593 19821 261 1 1 . 1 1 69 69 ARG H H 69 8.334 8.334 8.905 -0.571 19821 262 1 1 . 1 1 70 70 ASP N N 70 123.332 123.332 119.336 3.996 19821 263 1 1 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.679 -0.252 19821 264 1 1 . 1 1 70 70 ASP CA C 70 54.908 54.908 52.587 2.321 19821 265 1 1 . 1 1 70 70 ASP H H 70 8.400 8.400 8.304 0.096 19821 266 1 1 . 1 1 71 71 GLU N N 71 123.365 123.365 125.586 -2.221 19821 267 1 1 . 1 1 71 71 GLU HA H 71 4.077 4.077 3.540 0.537 19821 268 1 1 . 1 1 71 71 GLU CA C 71 57.484 57.484 56.840 0.644 19821 269 1 1 . 1 1 71 71 GLU H H 71 8.300 8.300 8.453 -0.153 19821 270 1 1 . 1 1 72 72 LEU N N 72 123.444 123.444 126.014 -2.570 19821 271 1 1 . 1 1 72 72 LEU HA H 72 4.114 4.114 3.870 0.244 19821 272 1 1 . 1 1 72 72 LEU CA C 72 55.865 55.865 58.704 -2.839 19821 273 1 1 . 1 1 72 72 LEU H H 72 8.038 8.038 8.267 -0.229 19821 274 1 1 . 1 1 73 73 ALA N N 73 125.204 125.204 121.888 3.316 19821 275 1 1 . 1 1 73 73 ALA HA H 73 4.041 4.041 3.982 0.059 19821 276 1 1 . 1 1 73 73 ALA CA C 73 53.475 53.475 55.019 -1.544 19821 277 1 1 . 1 1 73 73 ALA H H 73 7.890 7.890 8.308 -0.418 19821 278 1 1 . 1 1 74 74 ASP N N 74 120.369 120.369 117.883 2.486 19821 279 1 1 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.325 0.082 19821 280 1 1 . 1 1 74 74 ASP CA C 74 54.790 54.790 56.086 -1.296 19821 281 1 1 . 1 1 74 74 ASP H H 74 7.980 7.980 7.862 0.118 19821 282 1 1 . 1 1 75 75 LEU N N 75 123.629 123.629 121.342 2.287 19821 283 1 1 . 1 1 75 75 LEU HA H 75 3.978 3.978 4.361 -0.383 19821 284 1 1 . 1 1 75 75 LEU CA C 75 56.343 56.343 58.160 -1.817 19821 285 1 1 . 1 1 75 75 LEU H H 75 7.902 7.902 8.121 -0.219 19821 286 1 1 . 1 1 76 76 GLU N N 76 120.501 120.501 118.661 1.840 19821 287 1 1 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.256 -0.307 19821 288 1 1 . 1 1 76 76 GLU CA C 76 57.239 57.239 59.227 -1.988 19821 289 1 1 . 1 1 76 76 GLU H H 76 7.994 7.994 7.875 0.119 19821 290 1 1 . 1 1 77 77 HIS N N 77 119.010 119.010 117.486 1.524 19821 291 1 1 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.389 0.010 19821 292 1 1 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.326 -2.282 19821 293 1 1 . 1 1 77 77 HIS H H 77 7.959 7.959 7.761 0.198 19821 294 1 2 . 1 1 4 4 LEU N N 4 125.414 125.414 122.106 3.308 19821 295 1 2 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.146 0.206 19821 296 1 2 . 1 1 4 4 LEU CA C 4 54.670 54.670 57.208 -2.538 19821 297 1 2 . 1 1 4 4 LEU H H 4 7.844 7.844 8.318 -0.474 19821 298 1 2 . 1 1 5 5 SER N N 5 120.078 120.078 112.296 7.782 19821 299 1 2 . 1 1 5 5 SER HA H 5 4.279 4.279 4.407 -0.128 19821 300 1 2 . 1 1 5 5 SER CA C 5 57.119 57.119 59.271 -2.152 19821 301 1 2 . 1 1 5 5 SER H H 5 8.615 8.615 8.034 0.581 19821 302 1 2 . 1 1 6 6 LEU N N 6 124.468 124.468 118.516 5.952 19821 303 1 2 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.135 -0.212 19821 304 1 2 . 1 1 6 6 LEU CA C 6 58.493 58.493 56.011 2.482 19821 305 1 2 . 1 1 6 6 LEU H H 6 8.719 8.719 7.601 1.118 19821 306 1 2 . 1 1 7 7 THR N N 7 115.018 115.018 112.870 2.148 19821 307 1 2 . 1 1 7 7 THR HA H 7 3.344 3.344 4.266 -0.922 19821 308 1 2 . 1 1 7 7 THR CA C 7 68.469 68.469 61.422 7.047 19821 309 1 2 . 1 1 7 7 THR H H 7 7.986 7.986 7.807 0.179 19821 310 1 2 . 1 1 8 8 GLN N N 8 120.628 120.628 127.653 -7.025 19821 311 1 2 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.117 -0.388 19821 312 1 2 . 1 1 8 8 GLN CA C 8 59.628 59.628 58.898 0.730 19821 313 1 2 . 1 1 8 8 GLN H H 8 7.398 7.398 8.978 -1.580 19821 314 1 2 . 1 1 9 9 LEU N N 9 121.103 121.103 119.179 1.924 19821 315 1 2 . 1 1 9 9 LEU HA H 9 3.959 3.959 3.985 -0.026 19821 316 1 2 . 1 1 9 9 LEU CA C 9 58.553 58.553 58.359 0.194 19821 317 1 2 . 1 1 9 9 LEU H H 9 8.324 8.324 7.876 0.448 19821 318 1 2 . 1 1 10 10 ILE N N 10 119.788 119.788 121.125 -1.337 19821 319 1 2 . 1 1 10 10 ILE HA H 10 3.226 3.226 3.942 -0.716 19821 320 1 2 . 1 1 10 10 ILE CA C 10 66.319 66.319 63.752 2.567 19821 321 1 2 . 1 1 10 10 ILE H H 10 8.149 8.149 7.809 0.340 19821 322 1 2 . 1 1 11 11 LEU N N 11 119.842 119.842 122.253 -2.411 19821 323 1 2 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.176 -0.484 19821 324 1 2 . 1 1 11 11 LEU CA C 11 58.911 58.911 57.773 1.138 19821 325 1 2 . 1 1 11 11 LEU H H 11 7.847 7.847 8.191 -0.344 19821 326 1 2 . 1 1 12 12 ILE N N 12 123.069 123.069 119.176 3.893 19821 327 1 2 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.535 -0.016 19821 328 1 2 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.903 -0.660 19821 329 1 2 . 1 1 12 12 ILE H H 12 8.323 8.323 7.989 0.334 19821 330 1 2 . 1 1 13 13 ARG N N 13 124.216 124.216 118.626 5.590 19821 331 1 2 . 1 1 13 13 ARG HA H 13 3.619 3.619 3.926 -0.307 19821 332 1 2 . 1 1 13 13 ARG CA C 13 57.717 57.717 58.492 -0.776 19821 333 1 2 . 1 1 13 13 ARG H H 13 7.796 7.796 7.507 0.289 19821 334 1 2 . 1 1 14 14 LEU N N 14 118.657 118.657 120.033 -1.376 19821 335 1 2 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.812 0.559 19821 336 1 2 . 1 1 14 14 LEU CA C 14 56.641 56.641 58.931 -2.290 19821 337 1 2 . 1 1 14 14 LEU H H 14 8.450 8.450 7.919 0.531 19821 338 1 2 . 1 1 15 15 SER N N 15 116.873 116.873 115.283 1.590 19821 339 1 2 . 1 1 15 15 SER HA H 15 3.949 3.949 3.817 0.132 19821 340 1 2 . 1 1 15 15 SER CA C 15 61.540 61.540 60.106 1.434 19821 341 1 2 . 1 1 15 15 SER H H 15 7.864 7.864 7.407 0.457 19821 342 1 2 . 1 1 16 16 ASN N N 16 118.994 118.994 116.684 2.310 19821 343 1 2 . 1 1 16 16 ASN HA H 16 4.491 4.491 4.979 -0.488 19821 344 1 2 . 1 1 16 16 ASN CA C 16 55.626 55.626 54.977 0.649 19821 345 1 2 . 1 1 16 16 ASN H H 16 7.804 7.804 8.092 -0.288 19821 346 1 2 . 1 1 17 17 ARG N N 17 117.557 117.557 119.992 -2.435 19821 347 1 2 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.044 0.253 19821 348 1 2 . 1 1 17 17 ARG CA C 17 54.610 54.610 58.891 -4.281 19821 349 1 2 . 1 1 17 17 ARG H H 17 8.343 8.343 8.106 0.237 19821 350 1 2 . 1 1 18 18 GLY N N 18 110.623 110.623 108.383 2.240 19821 351 1 2 . 1 1 18 18 GLY CA C 18 44.455 44.455 47.126 -2.671 19821 352 1 2 . 1 1 18 18 GLY H H 18 7.303 7.303 7.492 -0.189 19821 353 1 2 . 1 1 19 19 CYS N N 19 117.667 117.667 117.915 -0.248 19821 354 1 2 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.742 0.160 19821 355 1 2 . 1 1 19 19 CYS CA C 19 58.254 58.254 57.325 0.929 19821 356 1 2 . 1 1 19 19 CYS H H 19 7.950 7.950 8.022 -0.072 19821 357 1 2 . 1 1 20 20 GLN N N 20 121.882 121.882 123.527 -1.645 19821 358 1 2 . 1 1 20 20 GLN HA H 20 5.104 5.104 4.098 1.006 19821 359 1 2 . 1 1 20 20 GLN CA C 20 53.714 53.714 57.846 -4.132 19821 360 1 2 . 1 1 20 20 GLN H H 20 8.615 8.615 8.783 -0.168 19821 361 1 2 . 1 1 21 21 THR N N 21 116.183 116.183 114.248 1.935 19821 362 1 2 . 1 1 21 21 THR HA H 21 4.847 4.847 5.208 -0.361 19821 363 1 2 . 1 1 21 21 THR CA C 21 60.763 60.763 59.757 1.006 19821 364 1 2 . 1 1 21 21 THR H H 21 9.557 9.557 7.839 1.718 19821 365 1 2 . 1 1 22 22 LEU N N 22 123.325 123.325 128.797 -5.472 19821 366 1 2 . 1 1 22 22 LEU HA H 22 3.777 3.777 5.171 -1.394 19821 367 1 2 . 1 1 22 22 LEU CA C 22 59.270 59.270 52.279 6.991 19821 368 1 2 . 1 1 22 22 LEU H H 22 9.257 9.257 9.133 0.124 19821 369 1 2 . 1 1 23 23 GLU N N 23 120.097 120.097 117.893 2.204 19821 370 1 2 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.486 -0.563 19821 371 1 2 . 1 1 23 23 GLU CA C 23 61.241 61.241 55.028 6.213 19821 372 1 2 . 1 1 23 23 GLU H H 23 9.030 9.030 9.288 -0.258 19821 373 1 2 . 1 1 24 24 GLU N N 24 122.438 122.438 122.720 -0.282 19821 374 1 2 . 1 1 24 24 GLU HA H 24 3.912 3.912 3.968 -0.056 19821 375 1 2 . 1 1 24 24 GLU CA C 24 59.270 59.270 60.298 -1.028 19821 376 1 2 . 1 1 24 24 GLU H H 24 7.734 7.734 8.932 -1.198 19821 377 1 2 . 1 1 25 25 LEU N N 25 123.263 123.263 118.876 4.387 19821 378 1 2 . 1 1 25 25 LEU HA H 25 4.132 4.132 3.979 0.153 19821 379 1 2 . 1 1 25 25 LEU CA C 25 58.314 58.314 58.085 0.229 19821 380 1 2 . 1 1 25 25 LEU H H 25 8.350 8.350 8.346 0.004 19821 381 1 2 . 1 1 26 26 GLU N N 26 129.504 129.504 120.318 9.186 19821 382 1 2 . 1 1 26 26 GLU HA H 26 3.601 3.601 4.097 -0.496 19821 383 1 2 . 1 1 26 26 GLU CA C 26 60.942 60.942 59.241 1.701 19821 384 1 2 . 1 1 26 26 GLU H H 26 9.362 9.362 7.881 1.481 19821 385 1 2 . 1 1 27 27 GLU N N 27 121.392 121.392 118.599 2.793 19821 386 1 2 . 1 1 27 27 GLU HA H 27 3.857 3.857 4.073 -0.216 19821 387 1 2 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.309 0.080 19821 388 1 2 . 1 1 27 27 GLU H H 27 7.741 7.741 8.436 -0.695 19821 389 1 2 . 1 1 28 28 PHE N N 28 117.204 117.204 120.819 -3.615 19821 390 1 2 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.173 0.124 19821 391 1 2 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.149 -0.326 19821 392 1 2 . 1 1 28 28 PHE H H 28 7.392 7.392 8.353 -0.961 19821 393 1 2 . 1 1 29 29 THR N N 29 107.601 107.601 113.403 -5.802 19821 394 1 2 . 1 1 29 29 THR HA H 29 3.472 3.472 4.080 -0.608 19821 395 1 2 . 1 1 29 29 THR CA C 29 63.989 63.989 64.489 -0.500 19821 396 1 2 . 1 1 29 29 THR H H 29 8.220 8.220 7.913 0.307 19821 397 1 2 . 1 1 30 30 GLN N N 30 116.862 116.862 120.400 -3.538 19821 398 1 2 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.109 -0.380 19821 399 1 2 . 1 1 30 30 GLN CA C 30 57.478 57.478 58.525 -1.046 19821 400 1 2 . 1 1 30 30 GLN H H 30 7.974 7.974 7.987 -0.013 19821 401 1 2 . 1 1 31 31 ALA N N 31 122.778 122.778 117.510 5.268 19821 402 1 2 . 1 1 31 31 ALA HA H 31 4.213 4.213 4.076 0.137 19821 403 1 2 . 1 1 31 31 ALA CA C 31 51.265 51.265 53.217 -1.952 19821 404 1 2 . 1 1 31 31 ALA H H 31 7.384 7.384 7.896 -0.512 19821 405 1 2 . 1 1 32 32 LYS N N 32 121.107 121.107 118.334 2.773 19821 406 1 2 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.947 0.112 19821 407 1 2 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.543 -1.260 19821 408 1 2 . 1 1 32 32 LYS H H 32 8.194 8.194 7.997 0.197 19821 409 1 2 . 1 1 33 33 ARG N N 33 126.754 126.754 118.778 7.976 19821 410 1 2 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.491 -0.222 19821 411 1 2 . 1 1 33 33 ARG CA C 33 61.002 61.002 55.315 5.687 19821 412 1 2 . 1 1 33 33 ARG H H 33 8.690 8.690 7.695 0.995 19821 413 1 2 . 1 1 34 34 GLU N N 34 117.537 117.537 121.921 -4.384 19821 414 1 2 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.156 -0.299 19821 415 1 2 . 1 1 34 34 GLU CA C 34 60.619 60.619 57.065 3.554 19821 416 1 2 . 1 1 34 34 GLU H H 34 9.236 9.236 8.683 0.553 19821 417 1 2 . 1 1 35 35 VAL N N 35 121.054 121.054 126.658 -5.604 19821 418 1 2 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.602 0.072 19821 419 1 2 . 1 1 35 35 VAL CA C 35 65.064 65.064 66.755 -1.691 19821 420 1 2 . 1 1 35 35 VAL H H 35 6.681 6.681 8.944 -2.263 19821 421 1 2 . 1 1 36 36 LEU N N 36 126.417 126.417 120.169 6.248 19821 422 1 2 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.111 -0.492 19821 423 1 2 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.909 0.883 19821 424 1 2 . 1 1 36 36 LEU H H 36 8.140 8.140 8.495 -0.355 19821 425 1 2 . 1 1 37 37 LEU N N 37 120.272 120.272 120.387 -0.115 19821 426 1 2 . 1 1 37 37 LEU HA H 37 3.766 3.766 3.929 -0.163 19821 427 1 2 . 1 1 37 37 LEU CA C 37 58.911 58.911 57.843 1.067 19821 428 1 2 . 1 1 37 37 LEU H H 37 8.492 8.492 7.896 0.596 19821 429 1 2 . 1 1 38 38 VAL N N 38 122.614 122.614 120.915 1.699 19821 430 1 2 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.835 -0.234 19821 431 1 2 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.421 1.495 19821 432 1 2 . 1 1 38 38 VAL H H 38 7.508 7.508 8.473 -0.965 19821 433 1 2 . 1 1 39 39 THR N N 39 120.141 120.141 111.717 8.424 19821 434 1 2 . 1 1 39 39 THR HA H 39 3.678 3.678 3.793 -0.115 19821 435 1 2 . 1 1 39 39 THR CA C 39 67.812 67.812 65.332 2.480 19821 436 1 2 . 1 1 39 39 THR H H 39 7.626 7.626 8.125 -0.499 19821 437 1 2 . 1 1 40 40 LEU N N 40 123.404 123.404 120.958 2.446 19821 438 1 2 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.791 -0.162 19821 439 1 2 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.614 -1.181 19821 440 1 2 . 1 1 40 40 LEU H H 40 8.644 8.644 7.866 0.778 19821 441 1 2 . 1 1 41 41 THR N N 41 119.278 119.278 114.229 5.049 19821 442 1 2 . 1 1 41 41 THR HA H 41 3.839 3.839 4.064 -0.225 19821 443 1 2 . 1 1 41 41 THR CA C 41 67.573 67.573 65.819 1.754 19821 444 1 2 . 1 1 41 41 THR H H 41 8.169 8.169 8.072 0.097 19821 445 1 2 . 1 1 42 42 ARG N N 42 124.625 124.625 121.957 2.668 19821 446 1 2 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.926 0.078 19821 447 1 2 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.309 0.558 19821 448 1 2 . 1 1 42 42 ARG H H 42 7.748 7.748 8.251 -0.503 19821 449 1 2 . 1 1 43 43 LEU N N 43 120.115 120.115 122.450 -2.335 19821 450 1 2 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.147 -0.253 19821 451 1 2 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.367 -2.232 19821 452 1 2 . 1 1 43 43 LEU H H 43 7.963 7.963 8.324 -0.361 19821 453 1 2 . 1 1 44 44 HIS N N 44 123.297 123.297 120.562 2.735 19821 454 1 2 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.295 0.112 19821 455 1 2 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.793 -0.105 19821 456 1 2 . 1 1 44 44 HIS H H 44 8.454 8.454 8.077 0.377 19821 457 1 2 . 1 1 45 45 GLN N N 45 124.648 124.648 117.930 6.718 19821 458 1 2 . 1 1 45 45 GLN HA H 45 3.821 3.821 4.014 -0.193 19821 459 1 2 . 1 1 45 45 GLN CA C 45 59.270 59.270 58.820 0.450 19821 460 1 2 . 1 1 45 45 GLN H H 45 8.626 8.626 7.994 0.632 19821 461 1 2 . 1 1 46 46 ARG N N 46 117.047 117.047 120.746 -3.699 19821 462 1 2 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.429 -0.260 19821 463 1 2 . 1 1 46 46 ARG CA C 46 56.641 56.641 59.454 -2.813 19821 464 1 2 . 1 1 46 46 ARG H H 46 7.628 7.628 8.323 -0.695 19821 465 1 2 . 1 1 47 47 GLY N N 47 109.401 109.401 106.470 2.931 19821 466 1 2 . 1 1 47 47 GLY CA C 47 46.128 46.128 46.977 -0.850 19821 467 1 2 . 1 1 47 47 GLY H H 47 7.763 7.763 8.300 -0.537 19821 468 1 2 . 1 1 48 48 VAL N N 48 118.932 118.932 119.076 -0.144 19821 469 1 2 . 1 1 48 48 VAL HA H 48 3.801 3.801 3.941 -0.140 19821 470 1 2 . 1 1 48 48 VAL CA C 48 64.168 64.168 63.301 0.867 19821 471 1 2 . 1 1 48 48 VAL H H 48 7.787 7.787 7.863 -0.076 19821 472 1 2 . 1 1 49 49 ILE N N 49 110.494 110.494 116.876 -6.382 19821 473 1 2 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.905 1.309 19821 474 1 2 . 1 1 49 49 ILE CA C 49 58.075 58.075 61.105 -3.030 19821 475 1 2 . 1 1 49 49 ILE H H 49 6.766 6.766 7.781 -1.015 19821 476 1 2 . 1 1 50 50 TYR N N 50 120.330 120.330 118.583 1.747 19821 477 1 2 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.708 0.176 19821 478 1 2 . 1 1 50 50 TYR CA C 50 55.805 55.805 59.072 -3.267 19821 479 1 2 . 1 1 50 50 TYR H H 50 9.025 9.025 8.287 0.738 19821 480 1 2 . 1 1 51 51 ARG N N 51 120.608 120.608 113.196 7.412 19821 481 1 2 . 1 1 51 51 ARG HA H 51 4.957 4.957 5.154 -0.197 19821 482 1 2 . 1 1 51 51 ARG CA C 51 53.834 53.834 53.696 0.138 19821 483 1 2 . 1 1 51 51 ARG H H 51 8.511 8.511 7.479 1.032 19821 484 1 2 . 1 1 52 52 LYS N N 52 121.992 121.992 122.049 -0.057 19821 485 1 2 . 1 1 52 52 LYS HA H 52 4.371 4.371 5.093 -0.722 19821 486 1 2 . 1 1 52 52 LYS CA C 52 55.626 55.626 55.077 0.549 19821 487 1 2 . 1 1 52 52 LYS H H 52 8.324 8.324 9.098 -0.774 19821 488 1 2 . 1 1 53 53 TRP N N 53 121.803 121.803 125.644 -3.841 19821 489 1 2 . 1 1 53 53 TRP HA H 53 4.996 4.996 5.368 -0.372 19821 490 1 2 . 1 1 53 53 TRP CA C 53 56.462 56.462 54.581 1.881 19821 491 1 2 . 1 1 53 53 TRP H H 53 8.457 8.457 7.877 0.580 19821 492 1 2 . 1 1 54 54 ARG N N 54 127.059 127.059 120.150 6.909 19821 493 1 2 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.504 -0.042 19821 494 1 2 . 1 1 54 54 ARG CA C 54 55.088 55.088 54.425 0.663 19821 495 1 2 . 1 1 54 54 ARG H H 54 9.555 9.555 8.017 1.538 19821 496 1 2 . 1 1 55 55 HIS N N 55 127.930 127.930 118.647 9.283 19821 497 1 2 . 1 1 55 55 HIS HA H 55 5.089 5.089 5.102 -0.013 19821 498 1 2 . 1 1 55 55 HIS CA C 55 55.984 55.984 55.470 0.514 19821 499 1 2 . 1 1 55 55 HIS H H 55 9.019 9.019 8.554 0.465 19821 500 1 2 . 1 1 56 56 PHE N N 56 125.912 125.912 123.014 2.898 19821 501 1 2 . 1 1 56 56 PHE HA H 56 4.627 4.627 5.052 -0.425 19821 502 1 2 . 1 1 56 56 PHE CA C 56 58.195 58.195 56.874 1.321 19821 503 1 2 . 1 1 56 56 PHE H H 56 8.707 8.707 9.108 -0.401 19821 504 1 2 . 1 1 57 57 SER N N 57 124.434 124.434 123.824 0.610 19821 505 1 2 . 1 1 57 57 SER HA H 57 3.727 3.727 4.533 -0.806 19821 506 1 2 . 1 1 57 57 SER CA C 57 58.433 58.433 59.938 -1.505 19821 507 1 2 . 1 1 57 57 SER H H 57 8.829 8.829 8.885 -0.056 19821 508 1 2 . 1 1 58 58 GLY N N 58 108.465 108.465 116.699 -8.234 19821 509 1 2 . 1 1 58 58 GLY CA C 58 45.769 45.769 45.299 0.470 19821 510 1 2 . 1 1 58 58 GLY H H 58 8.456 8.456 8.549 -0.093 19821 511 1 2 . 1 1 59 59 ARG N N 59 122.424 122.424 127.521 -5.097 19821 512 1 2 . 1 1 59 59 ARG HA H 59 4.381 4.381 3.782 0.599 19821 513 1 2 . 1 1 59 59 ARG CA C 59 54.849 54.849 57.106 -2.257 19821 514 1 2 . 1 1 59 59 ARG H H 59 7.803 7.803 8.915 -1.112 19821 515 1 2 . 1 1 60 60 LYS N N 60 121.613 121.613 117.164 4.449 19821 516 1 2 . 1 1 60 60 LYS HA H 60 5.041 5.041 3.999 1.042 19821 517 1 2 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.095 -0.973 19821 518 1 2 . 1 1 60 60 LYS H H 60 7.912 7.912 8.036 -0.124 19821 519 1 2 . 1 1 61 61 TYR N N 61 122.435 122.435 120.500 1.935 19821 520 1 2 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.671 0.231 19821 521 1 2 . 1 1 61 61 TYR CA C 61 56.522 56.522 55.674 0.848 19821 522 1 2 . 1 1 61 61 TYR H H 61 8.883 8.883 7.676 1.207 19821 523 1 2 . 1 1 62 62 ARG N N 62 127.580 127.580 124.096 3.484 19821 524 1 2 . 1 1 62 62 ARG HA H 62 3.766 3.766 4.773 -1.007 19821 525 1 2 . 1 1 62 62 ARG CA C 62 56.402 56.402 56.037 0.365 19821 526 1 2 . 1 1 62 62 ARG H H 62 9.197 9.197 8.397 0.800 19821 527 1 2 . 1 1 63 63 GLU N N 63 124.048 124.048 123.896 0.152 19821 528 1 2 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.659 -0.233 19821 529 1 2 . 1 1 63 63 GLU CA C 63 53.834 53.834 54.972 -1.138 19821 530 1 2 . 1 1 63 63 GLU H H 63 8.525 8.525 9.313 -0.788 19821 531 1 2 . 1 1 64 64 TYR N N 64 121.860 121.860 123.218 -1.358 19821 532 1 2 . 1 1 64 64 TYR HA H 64 4.536 4.536 4.595 -0.059 19821 533 1 2 . 1 1 64 64 TYR CA C 64 57.358 57.358 57.040 0.318 19821 534 1 2 . 1 1 64 64 TYR H H 64 8.578 8.578 8.711 -0.133 19821 535 1 2 . 1 1 65 65 CYS N N 65 119.180 119.180 123.510 -4.330 19821 536 1 2 . 1 1 65 65 CYS HA H 65 4.756 4.756 4.720 0.036 19821 537 1 2 . 1 1 65 65 CYS CA C 65 53.177 53.177 57.645 -4.468 19821 538 1 2 . 1 1 65 65 CYS H H 65 8.313 8.313 8.431 -0.118 19821 539 1 2 . 1 1 66 66 LEU N N 66 125.298 125.298 121.115 4.183 19821 540 1 2 . 1 1 66 66 LEU HA H 66 4.151 4.151 4.821 -0.670 19821 541 1 2 . 1 1 66 66 LEU CA C 66 55.805 55.805 53.564 2.241 19821 542 1 2 . 1 1 66 66 LEU H H 66 8.917 8.917 9.014 -0.097 19821 543 1 2 . 1 1 67 67 LYS N N 67 126.834 126.834 123.598 3.236 19821 544 1 2 . 1 1 67 67 LYS HA H 67 4.169 4.169 5.359 -1.190 19821 545 1 2 . 1 1 67 67 LYS CA C 67 57.478 57.478 52.980 4.498 19821 546 1 2 . 1 1 67 67 LYS H H 67 7.966 7.966 9.278 -1.312 19821 547 1 2 . 1 1 68 68 HIS N N 68 122.718 122.718 126.594 -3.876 19821 548 1 2 . 1 1 68 68 HIS HA H 68 4.583 4.583 4.433 0.150 19821 549 1 2 . 1 1 68 68 HIS CA C 68 55.566 55.566 57.579 -2.013 19821 550 1 2 . 1 1 68 68 HIS H H 68 8.648 8.648 8.726 -0.078 19821 551 1 2 . 1 1 69 69 ARG N N 69 125.371 125.371 127.102 -1.731 19821 552 1 2 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.298 -0.205 19821 553 1 2 . 1 1 69 69 ARG CA C 69 56.940 56.940 56.986 -0.046 19821 554 1 2 . 1 1 69 69 ARG H H 69 8.334 8.334 8.518 -0.184 19821 555 1 2 . 1 1 70 70 ASP N N 70 123.332 123.332 120.123 3.209 19821 556 1 2 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.858 -0.431 19821 557 1 2 . 1 1 70 70 ASP CA C 70 54.908 54.908 53.461 1.447 19821 558 1 2 . 1 1 70 70 ASP H H 70 8.400 8.400 8.275 0.125 19821 559 1 2 . 1 1 71 71 GLU N N 71 123.365 123.365 121.774 1.591 19821 560 1 2 . 1 1 71 71 GLU HA H 71 4.077 4.077 4.519 -0.442 19821 561 1 2 . 1 1 71 71 GLU CA C 71 57.484 57.484 56.799 0.685 19821 562 1 2 . 1 1 71 71 GLU H H 71 8.300 8.300 8.930 -0.630 19821 563 1 2 . 1 1 72 72 LEU N N 72 123.444 123.444 121.219 2.225 19821 564 1 2 . 1 1 72 72 LEU HA H 72 4.114 4.114 4.065 0.049 19821 565 1 2 . 1 1 72 72 LEU CA C 72 55.865 55.865 58.606 -2.741 19821 566 1 2 . 1 1 72 72 LEU H H 72 8.038 8.038 8.553 -0.515 19821 567 1 2 . 1 1 73 73 ALA N N 73 125.204 125.204 121.013 4.191 19821 568 1 2 . 1 1 73 73 ALA HA H 73 4.041 4.041 4.128 -0.087 19821 569 1 2 . 1 1 73 73 ALA CA C 73 53.475 53.475 54.041 -0.567 19821 570 1 2 . 1 1 73 73 ALA H H 73 7.890 7.890 8.191 -0.301 19821 571 1 2 . 1 1 74 74 ASP N N 74 120.369 120.369 120.599 -0.230 19821 572 1 2 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.223 0.184 19821 573 1 2 . 1 1 74 74 ASP CA C 74 54.790 54.790 57.159 -2.369 19821 574 1 2 . 1 1 74 74 ASP H H 74 7.980 7.980 8.148 -0.168 19821 575 1 2 . 1 1 75 75 LEU N N 75 123.629 123.629 118.760 4.869 19821 576 1 2 . 1 1 75 75 LEU HA H 75 3.978 3.978 3.726 0.252 19821 577 1 2 . 1 1 75 75 LEU CA C 75 56.343 56.343 57.699 -1.356 19821 578 1 2 . 1 1 75 75 LEU H H 75 7.902 7.902 8.214 -0.312 19821 579 1 2 . 1 1 76 76 GLU N N 76 120.501 120.501 118.559 1.942 19821 580 1 2 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.076 -0.127 19821 581 1 2 . 1 1 76 76 GLU CA C 76 57.239 57.239 58.961 -1.722 19821 582 1 2 . 1 1 76 76 GLU H H 76 7.994 7.994 7.469 0.525 19821 583 1 2 . 1 1 77 77 HIS N N 77 119.010 119.010 118.647 0.363 19821 584 1 2 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.314 0.085 19821 585 1 2 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.823 -2.779 19821 586 1 2 . 1 1 77 77 HIS H H 77 7.959 7.959 8.065 -0.106 19821 587 1 3 . 1 1 4 4 LEU N N 4 125.414 125.414 122.094 3.320 19821 588 1 3 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.164 0.188 19821 589 1 3 . 1 1 4 4 LEU CA C 4 54.670 54.670 56.879 -2.209 19821 590 1 3 . 1 1 4 4 LEU H H 4 7.844 7.844 8.198 -0.354 19821 591 1 3 . 1 1 5 5 SER N N 5 120.078 120.078 111.766 8.312 19821 592 1 3 . 1 1 5 5 SER HA H 5 4.279 4.279 4.280 -0.001 19821 593 1 3 . 1 1 5 5 SER CA C 5 57.119 57.119 58.665 -1.546 19821 594 1 3 . 1 1 5 5 SER H H 5 8.615 8.615 8.057 0.558 19821 595 1 3 . 1 1 6 6 LEU N N 6 124.468 124.468 119.214 5.254 19821 596 1 3 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.574 -0.651 19821 597 1 3 . 1 1 6 6 LEU CA C 6 58.493 58.493 53.646 4.847 19821 598 1 3 . 1 1 6 6 LEU H H 6 8.719 8.719 7.392 1.327 19821 599 1 3 . 1 1 7 7 THR N N 7 115.018 115.018 114.440 0.578 19821 600 1 3 . 1 1 7 7 THR HA H 7 3.344 3.344 4.402 -1.058 19821 601 1 3 . 1 1 7 7 THR CA C 7 68.469 68.469 61.342 7.127 19821 602 1 3 . 1 1 7 7 THR H H 7 7.986 7.986 8.871 -0.885 19821 603 1 3 . 1 1 8 8 GLN N N 8 120.628 120.628 120.696 -0.068 19821 604 1 3 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.176 -0.447 19821 605 1 3 . 1 1 8 8 GLN CA C 8 59.628 59.628 59.226 0.402 19821 606 1 3 . 1 1 8 8 GLN H H 8 7.398 7.398 8.900 -1.502 19821 607 1 3 . 1 1 9 9 LEU N N 9 121.103 121.103 121.354 -0.251 19821 608 1 3 . 1 1 9 9 LEU HA H 9 3.959 3.959 3.966 -0.007 19821 609 1 3 . 1 1 9 9 LEU CA C 9 58.553 58.553 59.875 -1.322 19821 610 1 3 . 1 1 9 9 LEU H H 9 8.324 8.324 8.216 0.108 19821 611 1 3 . 1 1 10 10 ILE N N 10 119.788 119.788 122.230 -2.442 19821 612 1 3 . 1 1 10 10 ILE HA H 10 3.226 3.226 3.864 -0.638 19821 613 1 3 . 1 1 10 10 ILE CA C 10 66.319 66.319 64.806 1.513 19821 614 1 3 . 1 1 10 10 ILE H H 10 8.149 8.149 7.816 0.333 19821 615 1 3 . 1 1 11 11 LEU N N 11 119.842 119.842 120.493 -0.651 19821 616 1 3 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.195 -0.503 19821 617 1 3 . 1 1 11 11 LEU CA C 11 58.911 58.911 58.098 0.813 19821 618 1 3 . 1 1 11 11 LEU H H 11 7.847 7.847 8.478 -0.631 19821 619 1 3 . 1 1 12 12 ILE N N 12 123.069 123.069 119.656 3.413 19821 620 1 3 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.551 -0.032 19821 621 1 3 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.584 -0.341 19821 622 1 3 . 1 1 12 12 ILE H H 12 8.323 8.323 7.904 0.419 19821 623 1 3 . 1 1 13 13 ARG N N 13 124.216 124.216 119.020 5.196 19821 624 1 3 . 1 1 13 13 ARG HA H 13 3.619 3.619 3.930 -0.311 19821 625 1 3 . 1 1 13 13 ARG CA C 13 57.717 57.717 59.189 -1.472 19821 626 1 3 . 1 1 13 13 ARG H H 13 7.796 7.796 7.823 -0.027 19821 627 1 3 . 1 1 14 14 LEU N N 14 118.657 118.657 119.832 -1.175 19821 628 1 3 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.814 0.557 19821 629 1 3 . 1 1 14 14 LEU CA C 14 56.641 56.641 58.696 -2.055 19821 630 1 3 . 1 1 14 14 LEU H H 14 8.450 8.450 8.264 0.186 19821 631 1 3 . 1 1 15 15 SER N N 15 116.873 116.873 115.598 1.275 19821 632 1 3 . 1 1 15 15 SER HA H 15 3.949 3.949 3.780 0.169 19821 633 1 3 . 1 1 15 15 SER CA C 15 61.540 61.540 60.164 1.376 19821 634 1 3 . 1 1 15 15 SER H H 15 7.864 7.864 7.885 -0.021 19821 635 1 3 . 1 1 16 16 ASN N N 16 118.994 118.994 116.606 2.388 19821 636 1 3 . 1 1 16 16 ASN HA H 16 4.491 4.491 4.805 -0.314 19821 637 1 3 . 1 1 16 16 ASN CA C 16 55.626 55.626 55.392 0.234 19821 638 1 3 . 1 1 16 16 ASN H H 16 7.804 7.804 8.364 -0.560 19821 639 1 3 . 1 1 17 17 ARG N N 17 117.557 117.557 118.395 -0.838 19821 640 1 3 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.045 0.252 19821 641 1 3 . 1 1 17 17 ARG CA C 17 54.610 54.610 58.312 -3.702 19821 642 1 3 . 1 1 17 17 ARG H H 17 8.343 8.343 7.478 0.865 19821 643 1 3 . 1 1 18 18 GLY N N 18 110.623 110.623 107.946 2.677 19821 644 1 3 . 1 1 18 18 GLY CA C 18 44.455 44.455 47.147 -2.692 19821 645 1 3 . 1 1 18 18 GLY H H 18 7.303 7.303 7.697 -0.394 19821 646 1 3 . 1 1 19 19 CYS N N 19 117.667 117.667 117.841 -0.174 19821 647 1 3 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.732 0.170 19821 648 1 3 . 1 1 19 19 CYS CA C 19 58.254 58.254 57.265 0.989 19821 649 1 3 . 1 1 19 19 CYS H H 19 7.950 7.950 8.053 -0.103 19821 650 1 3 . 1 1 20 20 GLN N N 20 121.882 121.882 121.855 0.027 19821 651 1 3 . 1 1 20 20 GLN HA H 20 5.104 5.104 4.100 1.004 19821 652 1 3 . 1 1 20 20 GLN CA C 20 53.714 53.714 57.476 -3.762 19821 653 1 3 . 1 1 20 20 GLN H H 20 8.615 8.615 8.685 -0.070 19821 654 1 3 . 1 1 21 21 THR N N 21 116.183 116.183 113.505 2.678 19821 655 1 3 . 1 1 21 21 THR HA H 21 4.847 4.847 5.120 -0.273 19821 656 1 3 . 1 1 21 21 THR CA C 21 60.763 60.763 60.334 0.429 19821 657 1 3 . 1 1 21 21 THR H H 21 9.557 9.557 7.609 1.948 19821 658 1 3 . 1 1 22 22 LEU N N 22 123.325 123.325 125.012 -1.687 19821 659 1 3 . 1 1 22 22 LEU HA H 22 3.777 3.777 5.269 -1.492 19821 660 1 3 . 1 1 22 22 LEU CA C 22 59.270 59.270 52.702 6.568 19821 661 1 3 . 1 1 22 22 LEU H H 22 9.257 9.257 8.913 0.344 19821 662 1 3 . 1 1 23 23 GLU N N 23 120.097 120.097 117.982 2.115 19821 663 1 3 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.600 -0.677 19821 664 1 3 . 1 1 23 23 GLU CA C 23 61.241 61.241 54.425 6.816 19821 665 1 3 . 1 1 23 23 GLU H H 23 9.030 9.030 9.358 -0.328 19821 666 1 3 . 1 1 24 24 GLU N N 24 122.438 122.438 121.783 0.655 19821 667 1 3 . 1 1 24 24 GLU HA H 24 3.912 3.912 4.051 -0.139 19821 668 1 3 . 1 1 24 24 GLU CA C 24 59.270 59.270 60.148 -0.878 19821 669 1 3 . 1 1 24 24 GLU H H 24 7.734 7.734 9.180 -1.446 19821 670 1 3 . 1 1 25 25 LEU N N 25 123.263 123.263 118.504 4.759 19821 671 1 3 . 1 1 25 25 LEU HA H 25 4.132 4.132 3.977 0.155 19821 672 1 3 . 1 1 25 25 LEU CA C 25 58.314 58.314 58.087 0.227 19821 673 1 3 . 1 1 25 25 LEU H H 25 8.350 8.350 8.360 -0.010 19821 674 1 3 . 1 1 26 26 GLU N N 26 129.504 129.504 119.966 9.538 19821 675 1 3 . 1 1 26 26 GLU HA H 26 3.601 3.601 4.278 -0.677 19821 676 1 3 . 1 1 26 26 GLU CA C 26 60.942 60.942 58.945 1.997 19821 677 1 3 . 1 1 26 26 GLU H H 26 9.362 9.362 7.793 1.569 19821 678 1 3 . 1 1 27 27 GLU N N 27 121.392 121.392 118.588 2.804 19821 679 1 3 . 1 1 27 27 GLU HA H 27 3.857 3.857 4.120 -0.263 19821 680 1 3 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.312 0.077 19821 681 1 3 . 1 1 27 27 GLU H H 27 7.741 7.741 8.518 -0.777 19821 682 1 3 . 1 1 28 28 PHE N N 28 117.204 117.204 120.825 -3.621 19821 683 1 3 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.187 0.110 19821 684 1 3 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.107 -0.284 19821 685 1 3 . 1 1 28 28 PHE H H 28 7.392 7.392 8.244 -0.852 19821 686 1 3 . 1 1 29 29 THR N N 29 107.601 107.601 113.113 -5.512 19821 687 1 3 . 1 1 29 29 THR HA H 29 3.472 3.472 4.061 -0.589 19821 688 1 3 . 1 1 29 29 THR CA C 29 63.989 63.989 64.553 -0.564 19821 689 1 3 . 1 1 29 29 THR H H 29 8.220 8.220 7.621 0.599 19821 690 1 3 . 1 1 30 30 GLN N N 30 116.862 116.862 118.254 -1.392 19821 691 1 3 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.215 -0.486 19821 692 1 3 . 1 1 30 30 GLN CA C 30 57.478 57.478 58.684 -1.206 19821 693 1 3 . 1 1 30 30 GLN H H 30 7.974 7.974 7.600 0.374 19821 694 1 3 . 1 1 31 31 ALA N N 31 122.778 122.778 118.982 3.796 19821 695 1 3 . 1 1 31 31 ALA HA H 31 4.213 4.213 4.018 0.195 19821 696 1 3 . 1 1 31 31 ALA CA C 31 51.265 51.265 53.338 -2.073 19821 697 1 3 . 1 1 31 31 ALA H H 31 7.384 7.384 8.050 -0.666 19821 698 1 3 . 1 1 32 32 LYS N N 32 121.107 121.107 117.300 3.807 19821 699 1 3 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.971 0.088 19821 700 1 3 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.528 -1.245 19821 701 1 3 . 1 1 32 32 LYS H H 32 8.194 8.194 8.129 0.065 19821 702 1 3 . 1 1 33 33 ARG N N 33 126.754 126.754 119.175 7.579 19821 703 1 3 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.550 -0.281 19821 704 1 3 . 1 1 33 33 ARG CA C 33 61.002 61.002 54.925 6.077 19821 705 1 3 . 1 1 33 33 ARG H H 33 8.690 8.690 7.729 0.961 19821 706 1 3 . 1 1 34 34 GLU N N 34 117.537 117.537 119.639 -2.102 19821 707 1 3 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.175 -0.318 19821 708 1 3 . 1 1 34 34 GLU CA C 34 60.619 60.619 57.015 3.604 19821 709 1 3 . 1 1 34 34 GLU H H 34 9.236 9.236 8.479 0.757 19821 710 1 3 . 1 1 35 35 VAL N N 35 121.054 121.054 125.192 -4.138 19821 711 1 3 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.695 -0.021 19821 712 1 3 . 1 1 35 35 VAL CA C 35 65.064 65.064 66.672 -1.608 19821 713 1 3 . 1 1 35 35 VAL H H 35 6.681 6.681 8.923 -2.242 19821 714 1 3 . 1 1 36 36 LEU N N 36 126.417 126.417 121.439 4.978 19821 715 1 3 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.119 -0.500 19821 716 1 3 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.914 0.878 19821 717 1 3 . 1 1 36 36 LEU H H 36 8.140 8.140 8.393 -0.253 19821 718 1 3 . 1 1 37 37 LEU N N 37 120.272 120.272 120.360 -0.088 19821 719 1 3 . 1 1 37 37 LEU HA H 37 3.766 3.766 3.899 -0.133 19821 720 1 3 . 1 1 37 37 LEU CA C 37 58.911 58.911 58.107 0.804 19821 721 1 3 . 1 1 37 37 LEU H H 37 8.492 8.492 8.004 0.488 19821 722 1 3 . 1 1 38 38 VAL N N 38 122.614 122.614 118.310 4.304 19821 723 1 3 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.753 -0.152 19821 724 1 3 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.217 1.699 19821 725 1 3 . 1 1 38 38 VAL H H 38 7.508 7.508 8.183 -0.675 19821 726 1 3 . 1 1 39 39 THR N N 39 120.141 120.141 113.862 6.279 19821 727 1 3 . 1 1 39 39 THR HA H 39 3.678 3.678 3.955 -0.277 19821 728 1 3 . 1 1 39 39 THR CA C 39 67.812 67.812 65.229 2.583 19821 729 1 3 . 1 1 39 39 THR H H 39 7.626 7.626 8.139 -0.513 19821 730 1 3 . 1 1 40 40 LEU N N 40 123.404 123.404 120.340 3.064 19821 731 1 3 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.701 -0.072 19821 732 1 3 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.669 -1.236 19821 733 1 3 . 1 1 40 40 LEU H H 40 8.644 8.644 8.141 0.503 19821 734 1 3 . 1 1 41 41 THR N N 41 119.278 119.278 116.698 2.580 19821 735 1 3 . 1 1 41 41 THR HA H 41 3.839 3.839 3.989 -0.150 19821 736 1 3 . 1 1 41 41 THR CA C 41 67.573 67.573 67.584 -0.011 19821 737 1 3 . 1 1 41 41 THR H H 41 8.169 8.169 7.643 0.526 19821 738 1 3 . 1 1 42 42 ARG N N 42 124.625 124.625 120.501 4.124 19821 739 1 3 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.758 0.246 19821 740 1 3 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.206 0.661 19821 741 1 3 . 1 1 42 42 ARG H H 42 7.748 7.748 8.268 -0.520 19821 742 1 3 . 1 1 43 43 LEU N N 43 120.115 120.115 122.283 -2.168 19821 743 1 3 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.093 -0.199 19821 744 1 3 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.389 -2.254 19821 745 1 3 . 1 1 43 43 LEU H H 43 7.963 7.963 8.237 -0.274 19821 746 1 3 . 1 1 44 44 HIS N N 44 123.297 123.297 120.526 2.771 19821 747 1 3 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.292 0.115 19821 748 1 3 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.571 0.117 19821 749 1 3 . 1 1 44 44 HIS H H 44 8.454 8.454 7.997 0.457 19821 750 1 3 . 1 1 45 45 GLN N N 45 124.648 124.648 118.217 6.431 19821 751 1 3 . 1 1 45 45 GLN HA H 45 3.821 3.821 3.937 -0.116 19821 752 1 3 . 1 1 45 45 GLN CA C 45 59.270 59.270 58.938 0.332 19821 753 1 3 . 1 1 45 45 GLN H H 45 8.626 8.626 8.320 0.306 19821 754 1 3 . 1 1 46 46 ARG N N 46 117.047 117.047 120.462 -3.415 19821 755 1 3 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.278 -0.109 19821 756 1 3 . 1 1 46 46 ARG CA C 46 56.641 56.641 59.073 -2.432 19821 757 1 3 . 1 1 46 46 ARG H H 46 7.628 7.628 8.344 -0.716 19821 758 1 3 . 1 1 47 47 GLY N N 47 109.401 109.401 106.839 2.562 19821 759 1 3 . 1 1 47 47 GLY CA C 47 46.128 46.128 47.289 -1.161 19821 760 1 3 . 1 1 47 47 GLY H H 47 7.763 7.763 8.029 -0.266 19821 761 1 3 . 1 1 48 48 VAL N N 48 118.932 118.932 117.210 1.722 19821 762 1 3 . 1 1 48 48 VAL HA H 48 3.801 3.801 4.003 -0.202 19821 763 1 3 . 1 1 48 48 VAL CA C 48 64.168 64.168 63.225 0.943 19821 764 1 3 . 1 1 48 48 VAL H H 48 7.787 7.787 7.558 0.229 19821 765 1 3 . 1 1 49 49 ILE N N 49 110.494 110.494 116.749 -6.255 19821 766 1 3 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.705 1.509 19821 767 1 3 . 1 1 49 49 ILE CA C 49 58.075 58.075 61.216 -3.141 19821 768 1 3 . 1 1 49 49 ILE H H 49 6.766 6.766 7.199 -0.433 19821 769 1 3 . 1 1 50 50 TYR N N 50 120.330 120.330 118.943 1.387 19821 770 1 3 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.398 0.486 19821 771 1 3 . 1 1 50 50 TYR CA C 50 55.805 55.805 60.173 -4.368 19821 772 1 3 . 1 1 50 50 TYR H H 50 9.025 9.025 8.267 0.758 19821 773 1 3 . 1 1 51 51 ARG N N 51 120.608 120.608 111.605 9.003 19821 774 1 3 . 1 1 51 51 ARG HA H 51 4.957 4.957 4.654 0.303 19821 775 1 3 . 1 1 51 51 ARG CA C 51 53.834 53.834 53.743 0.091 19821 776 1 3 . 1 1 51 51 ARG H H 51 8.511 8.511 7.165 1.346 19821 777 1 3 . 1 1 52 52 LYS N N 52 121.992 121.992 119.776 2.216 19821 778 1 3 . 1 1 52 52 LYS HA H 52 4.371 4.371 5.004 -0.633 19821 779 1 3 . 1 1 52 52 LYS CA C 52 55.626 55.626 54.775 0.851 19821 780 1 3 . 1 1 52 52 LYS H H 52 8.324 8.324 9.153 -0.829 19821 781 1 3 . 1 1 53 53 TRP N N 53 121.803 121.803 121.990 -0.187 19821 782 1 3 . 1 1 53 53 TRP HA H 53 4.996 4.996 4.757 0.239 19821 783 1 3 . 1 1 53 53 TRP CA C 53 56.462 56.462 56.518 -0.056 19821 784 1 3 . 1 1 53 53 TRP H H 53 8.457 8.457 8.538 -0.081 19821 785 1 3 . 1 1 54 54 ARG N N 54 127.059 127.059 123.854 3.205 19821 786 1 3 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.634 -0.172 19821 787 1 3 . 1 1 54 54 ARG CA C 54 55.088 55.088 54.806 0.283 19821 788 1 3 . 1 1 54 54 ARG H H 54 9.555 9.555 8.494 1.061 19821 789 1 3 . 1 1 55 55 HIS N N 55 127.930 127.930 124.358 3.572 19821 790 1 3 . 1 1 55 55 HIS HA H 55 5.089 5.089 5.203 -0.114 19821 791 1 3 . 1 1 55 55 HIS CA C 55 55.984 55.984 55.176 0.808 19821 792 1 3 . 1 1 55 55 HIS H H 55 9.019 9.019 8.980 0.039 19821 793 1 3 . 1 1 56 56 PHE N N 56 125.912 125.912 125.467 0.445 19821 794 1 3 . 1 1 56 56 PHE HA H 56 4.627 4.627 4.917 -0.290 19821 795 1 3 . 1 1 56 56 PHE CA C 56 58.195 58.195 56.590 1.605 19821 796 1 3 . 1 1 56 56 PHE H H 56 8.707 8.707 8.838 -0.131 19821 797 1 3 . 1 1 57 57 SER N N 57 124.434 124.434 124.157 0.277 19821 798 1 3 . 1 1 57 57 SER HA H 57 3.727 3.727 4.515 -0.788 19821 799 1 3 . 1 1 57 57 SER CA C 57 58.433 58.433 59.841 -1.408 19821 800 1 3 . 1 1 57 57 SER H H 57 8.829 8.829 8.963 -0.134 19821 801 1 3 . 1 1 58 58 GLY N N 58 108.465 108.465 115.993 -7.528 19821 802 1 3 . 1 1 58 58 GLY CA C 58 45.769 45.769 45.392 0.377 19821 803 1 3 . 1 1 58 58 GLY H H 58 8.456 8.456 8.505 -0.049 19821 804 1 3 . 1 1 59 59 ARG N N 59 122.424 122.424 127.030 -4.606 19821 805 1 3 . 1 1 59 59 ARG HA H 59 4.381 4.381 3.745 0.636 19821 806 1 3 . 1 1 59 59 ARG CA C 59 54.849 54.849 56.324 -1.475 19821 807 1 3 . 1 1 59 59 ARG H H 59 7.803 7.803 8.820 -1.017 19821 808 1 3 . 1 1 60 60 LYS N N 60 121.613 121.613 117.054 4.559 19821 809 1 3 . 1 1 60 60 LYS HA H 60 5.041 5.041 3.973 1.068 19821 810 1 3 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.077 -0.955 19821 811 1 3 . 1 1 60 60 LYS H H 60 7.912 7.912 7.954 -0.042 19821 812 1 3 . 1 1 61 61 TYR N N 61 122.435 122.435 120.388 2.047 19821 813 1 3 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.619 0.283 19821 814 1 3 . 1 1 61 61 TYR CA C 61 56.522 56.522 55.674 0.848 19821 815 1 3 . 1 1 61 61 TYR H H 61 8.883 8.883 7.608 1.275 19821 816 1 3 . 1 1 62 62 ARG N N 62 127.580 127.580 124.995 2.585 19821 817 1 3 . 1 1 62 62 ARG HA H 62 3.766 3.766 4.650 -0.884 19821 818 1 3 . 1 1 62 62 ARG CA C 62 56.402 56.402 55.952 0.450 19821 819 1 3 . 1 1 62 62 ARG H H 62 9.197 9.197 8.436 0.761 19821 820 1 3 . 1 1 63 63 GLU N N 63 124.048 124.048 124.303 -0.255 19821 821 1 3 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.495 -0.069 19821 822 1 3 . 1 1 63 63 GLU CA C 63 53.834 53.834 55.140 -1.306 19821 823 1 3 . 1 1 63 63 GLU H H 63 8.525 8.525 9.178 -0.653 19821 824 1 3 . 1 1 64 64 TYR N N 64 121.860 121.860 124.223 -2.363 19821 825 1 3 . 1 1 64 64 TYR HA H 64 4.536 4.536 4.485 0.051 19821 826 1 3 . 1 1 64 64 TYR CA C 64 57.358 57.358 57.327 0.032 19821 827 1 3 . 1 1 64 64 TYR H H 64 8.578 8.578 8.876 -0.298 19821 828 1 3 . 1 1 65 65 CYS N N 65 119.180 119.180 122.118 -2.938 19821 829 1 3 . 1 1 65 65 CYS HA H 65 4.756 4.756 4.706 0.050 19821 830 1 3 . 1 1 65 65 CYS CA C 65 53.177 53.177 57.096 -3.919 19821 831 1 3 . 1 1 65 65 CYS H H 65 8.313 8.313 8.413 -0.100 19821 832 1 3 . 1 1 66 66 LEU N N 66 125.298 125.298 119.322 5.976 19821 833 1 3 . 1 1 66 66 LEU HA H 66 4.151 4.151 5.295 -1.144 19821 834 1 3 . 1 1 66 66 LEU CA C 66 55.805 55.805 53.323 2.482 19821 835 1 3 . 1 1 66 66 LEU H H 66 8.917 8.917 8.805 0.112 19821 836 1 3 . 1 1 67 67 LYS N N 67 126.834 126.834 117.997 8.837 19821 837 1 3 . 1 1 67 67 LYS HA H 67 4.169 4.169 5.018 -0.849 19821 838 1 3 . 1 1 67 67 LYS CA C 67 57.478 57.478 53.637 3.841 19821 839 1 3 . 1 1 67 67 LYS H H 67 7.966 7.966 9.269 -1.303 19821 840 1 3 . 1 1 68 68 HIS N N 68 122.718 122.718 119.554 3.164 19821 841 1 3 . 1 1 68 68 HIS HA H 68 4.583 4.583 5.110 -0.527 19821 842 1 3 . 1 1 68 68 HIS CA C 68 55.566 55.566 55.067 0.499 19821 843 1 3 . 1 1 68 68 HIS H H 68 8.648 8.648 8.681 -0.033 19821 844 1 3 . 1 1 69 69 ARG N N 69 125.371 125.371 122.234 3.137 19821 845 1 3 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.111 -0.018 19821 846 1 3 . 1 1 69 69 ARG CA C 69 56.940 56.940 57.253 -0.313 19821 847 1 3 . 1 1 69 69 ARG H H 69 8.334 8.334 8.779 -0.445 19821 848 1 3 . 1 1 70 70 ASP N N 70 123.332 123.332 119.255 4.077 19821 849 1 3 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.787 -0.360 19821 850 1 3 . 1 1 70 70 ASP CA C 70 54.908 54.908 53.331 1.577 19821 851 1 3 . 1 1 70 70 ASP H H 70 8.400 8.400 8.254 0.146 19821 852 1 3 . 1 1 71 71 GLU N N 71 123.365 123.365 124.754 -1.389 19821 853 1 3 . 1 1 71 71 GLU HA H 71 4.077 4.077 4.001 0.076 19821 854 1 3 . 1 1 71 71 GLU CA C 71 57.484 57.484 60.827 -3.343 19821 855 1 3 . 1 1 71 71 GLU H H 71 8.300 8.300 8.632 -0.332 19821 856 1 3 . 1 1 72 72 LEU N N 72 123.444 123.444 119.250 4.194 19821 857 1 3 . 1 1 72 72 LEU HA H 72 4.114 4.114 4.090 0.024 19821 858 1 3 . 1 1 72 72 LEU CA C 72 55.865 55.865 58.333 -2.468 19821 859 1 3 . 1 1 72 72 LEU H H 72 8.038 8.038 8.477 -0.439 19821 860 1 3 . 1 1 73 73 ALA N N 73 125.204 125.204 122.738 2.466 19821 861 1 3 . 1 1 73 73 ALA HA H 73 4.041 4.041 4.018 0.023 19821 862 1 3 . 1 1 73 73 ALA CA C 73 53.475 53.475 54.641 -1.165 19821 863 1 3 . 1 1 73 73 ALA H H 73 7.890 7.890 8.143 -0.253 19821 864 1 3 . 1 1 74 74 ASP N N 74 120.369 120.369 120.191 0.178 19821 865 1 3 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.307 0.100 19821 866 1 3 . 1 1 74 74 ASP CA C 74 54.790 54.790 57.203 -2.413 19821 867 1 3 . 1 1 74 74 ASP H H 74 7.980 7.980 8.535 -0.555 19821 868 1 3 . 1 1 75 75 LEU N N 75 123.629 123.629 119.731 3.898 19821 869 1 3 . 1 1 75 75 LEU HA H 75 3.978 3.978 3.920 0.058 19821 870 1 3 . 1 1 75 75 LEU CA C 75 56.343 56.343 57.544 -1.201 19821 871 1 3 . 1 1 75 75 LEU H H 75 7.902 7.902 8.322 -0.420 19821 872 1 3 . 1 1 76 76 GLU N N 76 120.501 120.501 119.012 1.489 19821 873 1 3 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.087 -0.138 19821 874 1 3 . 1 1 76 76 GLU CA C 76 57.239 57.239 58.923 -1.684 19821 875 1 3 . 1 1 76 76 GLU H H 76 7.994 7.994 7.722 0.272 19821 876 1 3 . 1 1 77 77 HIS N N 77 119.010 119.010 117.297 1.713 19821 877 1 3 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.342 0.057 19821 878 1 3 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.323 -2.279 19821 879 1 3 . 1 1 77 77 HIS H H 77 7.959 7.959 8.021 -0.062 19821 880 1 4 . 1 1 4 4 LEU N N 4 125.414 125.414 122.113 3.301 19821 881 1 4 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.152 0.200 19821 882 1 4 . 1 1 4 4 LEU CA C 4 54.670 54.670 56.878 -2.208 19821 883 1 4 . 1 1 4 4 LEU H H 4 7.844 7.844 8.185 -0.341 19821 884 1 4 . 1 1 5 5 SER N N 5 120.078 120.078 111.735 8.343 19821 885 1 4 . 1 1 5 5 SER HA H 5 4.279 4.279 4.275 0.004 19821 886 1 4 . 1 1 5 5 SER CA C 5 57.119 57.119 58.605 -1.486 19821 887 1 4 . 1 1 5 5 SER H H 5 8.615 8.615 8.049 0.566 19821 888 1 4 . 1 1 6 6 LEU N N 6 124.468 124.468 119.437 5.031 19821 889 1 4 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.572 -0.649 19821 890 1 4 . 1 1 6 6 LEU CA C 6 58.493 58.493 53.693 4.800 19821 891 1 4 . 1 1 6 6 LEU H H 6 8.719 8.719 7.374 1.345 19821 892 1 4 . 1 1 7 7 THR N N 7 115.018 115.018 114.495 0.523 19821 893 1 4 . 1 1 7 7 THR HA H 7 3.344 3.344 4.367 -1.023 19821 894 1 4 . 1 1 7 7 THR CA C 7 68.469 68.469 61.393 7.076 19821 895 1 4 . 1 1 7 7 THR H H 7 7.986 7.986 8.897 -0.911 19821 896 1 4 . 1 1 8 8 GLN N N 8 120.628 120.628 120.566 0.062 19821 897 1 4 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.194 -0.465 19821 898 1 4 . 1 1 8 8 GLN CA C 8 59.628 59.628 59.245 0.383 19821 899 1 4 . 1 1 8 8 GLN H H 8 7.398 7.398 8.906 -1.508 19821 900 1 4 . 1 1 9 9 LEU N N 9 121.103 121.103 121.064 0.039 19821 901 1 4 . 1 1 9 9 LEU HA H 9 3.959 3.959 3.989 -0.030 19821 902 1 4 . 1 1 9 9 LEU CA C 9 58.553 58.553 59.907 -1.354 19821 903 1 4 . 1 1 9 9 LEU H H 9 8.324 8.324 8.162 0.162 19821 904 1 4 . 1 1 10 10 ILE N N 10 119.788 119.788 122.144 -2.356 19821 905 1 4 . 1 1 10 10 ILE HA H 10 3.226 3.226 3.877 -0.651 19821 906 1 4 . 1 1 10 10 ILE CA C 10 66.319 66.319 64.776 1.543 19821 907 1 4 . 1 1 10 10 ILE H H 10 8.149 8.149 7.834 0.315 19821 908 1 4 . 1 1 11 11 LEU N N 11 119.842 119.842 120.476 -0.634 19821 909 1 4 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.164 -0.472 19821 910 1 4 . 1 1 11 11 LEU CA C 11 58.911 58.911 58.127 0.784 19821 911 1 4 . 1 1 11 11 LEU H H 11 7.847 7.847 8.491 -0.644 19821 912 1 4 . 1 1 12 12 ILE N N 12 123.069 123.069 119.374 3.695 19821 913 1 4 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.566 -0.047 19821 914 1 4 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.435 -0.192 19821 915 1 4 . 1 1 12 12 ILE H H 12 8.323 8.323 7.740 0.583 19821 916 1 4 . 1 1 13 13 ARG N N 13 124.216 124.216 119.500 4.716 19821 917 1 4 . 1 1 13 13 ARG HA H 13 3.619 3.619 3.888 -0.269 19821 918 1 4 . 1 1 13 13 ARG CA C 13 57.717 57.717 59.371 -1.654 19821 919 1 4 . 1 1 13 13 ARG H H 13 7.796 7.796 7.888 -0.092 19821 920 1 4 . 1 1 14 14 LEU N N 14 118.657 118.657 118.682 -0.025 19821 921 1 4 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.833 0.538 19821 922 1 4 . 1 1 14 14 LEU CA C 14 56.641 56.641 58.632 -1.991 19821 923 1 4 . 1 1 14 14 LEU H H 14 8.450 8.450 8.286 0.164 19821 924 1 4 . 1 1 15 15 SER N N 15 116.873 116.873 115.714 1.159 19821 925 1 4 . 1 1 15 15 SER HA H 15 3.949 3.949 3.903 0.046 19821 926 1 4 . 1 1 15 15 SER CA C 15 61.540 61.540 60.496 1.044 19821 927 1 4 . 1 1 15 15 SER H H 15 7.864 7.864 7.908 -0.044 19821 928 1 4 . 1 1 16 16 ASN N N 16 118.994 118.994 114.123 4.871 19821 929 1 4 . 1 1 16 16 ASN HA H 16 4.491 4.491 4.842 -0.351 19821 930 1 4 . 1 1 16 16 ASN CA C 16 55.626 55.626 54.203 1.423 19821 931 1 4 . 1 1 16 16 ASN H H 16 7.804 7.804 8.125 -0.321 19821 932 1 4 . 1 1 17 17 ARG N N 17 117.557 117.557 119.338 -1.781 19821 933 1 4 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.100 0.197 19821 934 1 4 . 1 1 17 17 ARG CA C 17 54.610 54.610 57.868 -3.258 19821 935 1 4 . 1 1 17 17 ARG H H 17 8.343 8.343 7.635 0.708 19821 936 1 4 . 1 1 18 18 GLY N N 18 110.623 110.623 106.931 3.692 19821 937 1 4 . 1 1 18 18 GLY CA C 18 44.455 44.455 45.747 -1.292 19821 938 1 4 . 1 1 18 18 GLY H H 18 7.303 7.303 7.688 -0.385 19821 939 1 4 . 1 1 19 19 CYS N N 19 117.667 117.667 117.835 -0.168 19821 940 1 4 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.662 0.240 19821 941 1 4 . 1 1 19 19 CYS CA C 19 58.254 58.254 57.218 1.036 19821 942 1 4 . 1 1 19 19 CYS H H 19 7.950 7.950 7.635 0.315 19821 943 1 4 . 1 1 20 20 GLN N N 20 121.882 121.882 121.169 0.713 19821 944 1 4 . 1 1 20 20 GLN HA H 20 5.104 5.104 3.991 1.113 19821 945 1 4 . 1 1 20 20 GLN CA C 20 53.714 53.714 57.609 -3.895 19821 946 1 4 . 1 1 20 20 GLN H H 20 8.615 8.615 8.716 -0.101 19821 947 1 4 . 1 1 21 21 THR N N 21 116.183 116.183 109.933 6.250 19821 948 1 4 . 1 1 21 21 THR HA H 21 4.847 4.847 4.917 -0.070 19821 949 1 4 . 1 1 21 21 THR CA C 21 60.763 60.763 60.549 0.214 19821 950 1 4 . 1 1 21 21 THR H H 21 9.557 9.557 7.469 2.088 19821 951 1 4 . 1 1 22 22 LEU N N 22 123.325 123.325 121.002 2.323 19821 952 1 4 . 1 1 22 22 LEU HA H 22 3.777 3.777 5.011 -1.234 19821 953 1 4 . 1 1 22 22 LEU CA C 22 59.270 59.270 53.545 5.725 19821 954 1 4 . 1 1 22 22 LEU H H 22 9.257 9.257 8.965 0.292 19821 955 1 4 . 1 1 23 23 GLU N N 23 120.097 120.097 118.674 1.423 19821 956 1 4 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.599 -0.676 19821 957 1 4 . 1 1 23 23 GLU CA C 23 61.241 61.241 55.089 6.152 19821 958 1 4 . 1 1 23 23 GLU H H 23 9.030 9.030 9.446 -0.416 19821 959 1 4 . 1 1 24 24 GLU N N 24 122.438 122.438 122.631 -0.193 19821 960 1 4 . 1 1 24 24 GLU HA H 24 3.912 3.912 3.995 -0.083 19821 961 1 4 . 1 1 24 24 GLU CA C 24 59.270 59.270 59.987 -0.717 19821 962 1 4 . 1 1 24 24 GLU H H 24 7.734 7.734 9.379 -1.645 19821 963 1 4 . 1 1 25 25 LEU N N 25 123.263 123.263 119.128 4.135 19821 964 1 4 . 1 1 25 25 LEU HA H 25 4.132 4.132 4.022 0.110 19821 965 1 4 . 1 1 25 25 LEU CA C 25 58.314 58.314 58.015 0.299 19821 966 1 4 . 1 1 25 25 LEU H H 25 8.350 8.350 8.374 -0.024 19821 967 1 4 . 1 1 26 26 GLU N N 26 129.504 129.504 120.377 9.127 19821 968 1 4 . 1 1 26 26 GLU HA H 26 3.601 3.601 4.098 -0.497 19821 969 1 4 . 1 1 26 26 GLU CA C 26 60.942 60.942 59.163 1.779 19821 970 1 4 . 1 1 26 26 GLU H H 26 9.362 9.362 7.959 1.403 19821 971 1 4 . 1 1 27 27 GLU N N 27 121.392 121.392 118.475 2.917 19821 972 1 4 . 1 1 27 27 GLU HA H 27 3.857 3.857 4.078 -0.221 19821 973 1 4 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.510 -0.121 19821 974 1 4 . 1 1 27 27 GLU H H 27 7.741 7.741 8.552 -0.811 19821 975 1 4 . 1 1 28 28 PHE N N 28 117.204 117.204 120.980 -3.776 19821 976 1 4 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.146 0.151 19821 977 1 4 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.297 -0.474 19821 978 1 4 . 1 1 28 28 PHE H H 28 7.392 7.392 8.192 -0.800 19821 979 1 4 . 1 1 29 29 THR N N 29 107.601 107.601 112.595 -4.994 19821 980 1 4 . 1 1 29 29 THR HA H 29 3.472 3.472 4.040 -0.568 19821 981 1 4 . 1 1 29 29 THR CA C 29 63.989 63.989 64.300 -0.311 19821 982 1 4 . 1 1 29 29 THR H H 29 8.220 8.220 7.781 0.439 19821 983 1 4 . 1 1 30 30 GLN N N 30 116.862 116.862 118.191 -1.329 19821 984 1 4 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.139 -0.410 19821 985 1 4 . 1 1 30 30 GLN CA C 30 57.478 57.478 58.572 -1.094 19821 986 1 4 . 1 1 30 30 GLN H H 30 7.974 7.974 8.113 -0.139 19821 987 1 4 . 1 1 31 31 ALA N N 31 122.778 122.778 118.807 3.971 19821 988 1 4 . 1 1 31 31 ALA HA H 31 4.213 4.213 3.940 0.273 19821 989 1 4 . 1 1 31 31 ALA CA C 31 51.265 51.265 53.127 -1.862 19821 990 1 4 . 1 1 31 31 ALA H H 31 7.384 7.384 8.023 -0.639 19821 991 1 4 . 1 1 32 32 LYS N N 32 121.107 121.107 118.178 2.929 19821 992 1 4 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.924 0.135 19821 993 1 4 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.569 -1.286 19821 994 1 4 . 1 1 32 32 LYS H H 32 8.194 8.194 7.946 0.248 19821 995 1 4 . 1 1 33 33 ARG N N 33 126.754 126.754 117.519 9.235 19821 996 1 4 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.573 -0.304 19821 997 1 4 . 1 1 33 33 ARG CA C 33 61.002 61.002 54.687 6.316 19821 998 1 4 . 1 1 33 33 ARG H H 33 8.690 8.690 7.468 1.222 19821 999 1 4 . 1 1 34 34 GLU N N 34 117.537 117.537 120.667 -3.130 19821 1000 1 4 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.169 -0.312 19821 1001 1 4 . 1 1 34 34 GLU CA C 34 60.619 60.619 56.707 3.912 19821 1002 1 4 . 1 1 34 34 GLU H H 34 9.236 9.236 8.578 0.658 19821 1003 1 4 . 1 1 35 35 VAL N N 35 121.054 121.054 127.287 -6.233 19821 1004 1 4 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.695 -0.021 19821 1005 1 4 . 1 1 35 35 VAL CA C 35 65.064 65.064 66.559 -1.495 19821 1006 1 4 . 1 1 35 35 VAL H H 35 6.681 6.681 8.911 -2.230 19821 1007 1 4 . 1 1 36 36 LEU N N 36 126.417 126.417 119.913 6.504 19821 1008 1 4 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.075 -0.456 19821 1009 1 4 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.902 0.890 19821 1010 1 4 . 1 1 36 36 LEU H H 36 8.140 8.140 8.681 -0.541 19821 1011 1 4 . 1 1 37 37 LEU N N 37 120.272 120.272 121.169 -0.897 19821 1012 1 4 . 1 1 37 37 LEU HA H 37 3.766 3.766 3.902 -0.136 19821 1013 1 4 . 1 1 37 37 LEU CA C 37 58.911 58.911 58.266 0.645 19821 1014 1 4 . 1 1 37 37 LEU H H 37 8.492 8.492 8.003 0.489 19821 1015 1 4 . 1 1 38 38 VAL N N 38 122.614 122.614 118.861 3.753 19821 1016 1 4 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.678 -0.077 19821 1017 1 4 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.359 1.557 19821 1018 1 4 . 1 1 38 38 VAL H H 38 7.508 7.508 7.819 -0.311 19821 1019 1 4 . 1 1 39 39 THR N N 39 120.141 120.141 113.477 6.664 19821 1020 1 4 . 1 1 39 39 THR HA H 39 3.678 3.678 3.921 -0.243 19821 1021 1 4 . 1 1 39 39 THR CA C 39 67.812 67.812 65.233 2.579 19821 1022 1 4 . 1 1 39 39 THR H H 39 7.626 7.626 7.928 -0.302 19821 1023 1 4 . 1 1 40 40 LEU N N 40 123.404 123.404 120.336 3.068 19821 1024 1 4 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.715 -0.086 19821 1025 1 4 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.632 -1.198 19821 1026 1 4 . 1 1 40 40 LEU H H 40 8.644 8.644 8.041 0.603 19821 1027 1 4 . 1 1 41 41 THR N N 41 119.278 119.278 116.892 2.386 19821 1028 1 4 . 1 1 41 41 THR HA H 41 3.839 3.839 4.013 -0.174 19821 1029 1 4 . 1 1 41 41 THR CA C 41 67.573 67.573 67.643 -0.070 19821 1030 1 4 . 1 1 41 41 THR H H 41 8.169 8.169 8.076 0.093 19821 1031 1 4 . 1 1 42 42 ARG N N 42 124.625 124.625 120.558 4.067 19821 1032 1 4 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.857 0.147 19821 1033 1 4 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.286 0.581 19821 1034 1 4 . 1 1 42 42 ARG H H 42 7.748 7.748 8.208 -0.460 19821 1035 1 4 . 1 1 43 43 LEU N N 43 120.115 120.115 122.391 -2.276 19821 1036 1 4 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.111 -0.217 19821 1037 1 4 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.310 -2.175 19821 1038 1 4 . 1 1 43 43 LEU H H 43 7.963 7.963 8.307 -0.344 19821 1039 1 4 . 1 1 44 44 HIS N N 44 123.297 123.297 120.239 3.058 19821 1040 1 4 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.357 0.050 19821 1041 1 4 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.414 0.274 19821 1042 1 4 . 1 1 44 44 HIS H H 44 8.454 8.454 8.176 0.278 19821 1043 1 4 . 1 1 45 45 GLN N N 45 124.648 124.648 117.817 6.831 19821 1044 1 4 . 1 1 45 45 GLN HA H 45 3.821 3.821 4.056 -0.235 19821 1045 1 4 . 1 1 45 45 GLN CA C 45 59.270 59.270 58.495 0.775 19821 1046 1 4 . 1 1 45 45 GLN H H 45 8.626 8.626 8.386 0.240 19821 1047 1 4 . 1 1 46 46 ARG N N 46 117.047 117.047 121.057 -4.010 19821 1048 1 4 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.413 -0.244 19821 1049 1 4 . 1 1 46 46 ARG CA C 46 56.641 56.641 59.528 -2.887 19821 1050 1 4 . 1 1 46 46 ARG H H 46 7.628 7.628 8.311 -0.683 19821 1051 1 4 . 1 1 47 47 GLY N N 47 109.401 109.401 108.503 0.898 19821 1052 1 4 . 1 1 47 47 GLY CA C 47 46.128 46.128 47.736 -1.608 19821 1053 1 4 . 1 1 47 47 GLY H H 47 7.763 7.763 8.153 -0.390 19821 1054 1 4 . 1 1 48 48 VAL N N 48 118.932 118.932 116.148 2.784 19821 1055 1 4 . 1 1 48 48 VAL HA H 48 3.801 3.801 4.214 -0.413 19821 1056 1 4 . 1 1 48 48 VAL CA C 48 64.168 64.168 61.408 2.760 19821 1057 1 4 . 1 1 48 48 VAL H H 48 7.787 7.787 7.410 0.377 19821 1058 1 4 . 1 1 49 49 ILE N N 49 110.494 110.494 119.417 -8.923 19821 1059 1 4 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.757 1.457 19821 1060 1 4 . 1 1 49 49 ILE CA C 49 58.075 58.075 62.121 -4.046 19821 1061 1 4 . 1 1 49 49 ILE H H 49 6.766 6.766 7.761 -0.995 19821 1062 1 4 . 1 1 50 50 TYR N N 50 120.330 120.330 118.004 2.326 19821 1063 1 4 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.553 0.331 19821 1064 1 4 . 1 1 50 50 TYR CA C 50 55.805 55.805 59.593 -3.788 19821 1065 1 4 . 1 1 50 50 TYR H H 50 9.025 9.025 8.267 0.758 19821 1066 1 4 . 1 1 51 51 ARG N N 51 120.608 120.608 116.254 4.354 19821 1067 1 4 . 1 1 51 51 ARG HA H 51 4.957 4.957 4.942 0.015 19821 1068 1 4 . 1 1 51 51 ARG CA C 51 53.834 53.834 54.502 -0.668 19821 1069 1 4 . 1 1 51 51 ARG H H 51 8.511 8.511 7.420 1.091 19821 1070 1 4 . 1 1 52 52 LYS N N 52 121.992 121.992 124.196 -2.204 19821 1071 1 4 . 1 1 52 52 LYS HA H 52 4.371 4.371 5.147 -0.776 19821 1072 1 4 . 1 1 52 52 LYS CA C 52 55.626 55.626 53.583 2.043 19821 1073 1 4 . 1 1 52 52 LYS H H 52 8.324 8.324 9.064 -0.740 19821 1074 1 4 . 1 1 53 53 TRP N N 53 121.803 121.803 120.590 1.213 19821 1075 1 4 . 1 1 53 53 TRP HA H 53 4.996 4.996 5.315 -0.319 19821 1076 1 4 . 1 1 53 53 TRP CA C 53 56.462 56.462 55.395 1.067 19821 1077 1 4 . 1 1 53 53 TRP H H 53 8.457 8.457 8.292 0.165 19821 1078 1 4 . 1 1 54 54 ARG N N 54 127.059 127.059 118.869 8.190 19821 1079 1 4 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.630 -0.168 19821 1080 1 4 . 1 1 54 54 ARG CA C 54 55.088 55.088 54.418 0.670 19821 1081 1 4 . 1 1 54 54 ARG H H 54 9.555 9.555 8.569 0.986 19821 1082 1 4 . 1 1 55 55 HIS N N 55 127.930 127.930 118.901 9.029 19821 1083 1 4 . 1 1 55 55 HIS HA H 55 5.089 5.089 5.546 -0.457 19821 1084 1 4 . 1 1 55 55 HIS CA C 55 55.984 55.984 54.948 1.036 19821 1085 1 4 . 1 1 55 55 HIS H H 55 9.019 9.019 8.703 0.316 19821 1086 1 4 . 1 1 56 56 PHE N N 56 125.912 125.912 120.511 5.401 19821 1087 1 4 . 1 1 56 56 PHE HA H 56 4.627 4.627 4.904 -0.277 19821 1088 1 4 . 1 1 56 56 PHE CA C 56 58.195 58.195 55.284 2.911 19821 1089 1 4 . 1 1 56 56 PHE H H 56 8.707 8.707 8.936 -0.229 19821 1090 1 4 . 1 1 57 57 SER N N 57 124.434 124.434 118.081 6.353 19821 1091 1 4 . 1 1 57 57 SER HA H 57 3.727 3.727 5.146 -1.419 19821 1092 1 4 . 1 1 57 57 SER CA C 57 58.433 58.433 57.910 0.523 19821 1093 1 4 . 1 1 57 57 SER H H 57 8.829 8.829 8.499 0.330 19821 1094 1 4 . 1 1 58 58 GLY N N 58 108.465 108.465 113.264 -4.799 19821 1095 1 4 . 1 1 58 58 GLY CA C 58 45.769 45.769 44.322 1.446 19821 1096 1 4 . 1 1 58 58 GLY H H 58 8.456 8.456 9.334 -0.878 19821 1097 1 4 . 1 1 59 59 ARG N N 59 122.424 122.424 124.971 -2.547 19821 1098 1 4 . 1 1 59 59 ARG HA H 59 4.381 4.381 4.021 0.360 19821 1099 1 4 . 1 1 59 59 ARG CA C 59 54.849 54.849 56.714 -1.865 19821 1100 1 4 . 1 1 59 59 ARG H H 59 7.803 7.803 9.462 -1.659 19821 1101 1 4 . 1 1 60 60 LYS N N 60 121.613 121.613 116.341 5.272 19821 1102 1 4 . 1 1 60 60 LYS HA H 60 5.041 5.041 3.992 1.049 19821 1103 1 4 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.279 -1.157 19821 1104 1 4 . 1 1 60 60 LYS H H 60 7.912 7.912 8.389 -0.477 19821 1105 1 4 . 1 1 61 61 TYR N N 61 122.435 122.435 121.025 1.410 19821 1106 1 4 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.743 0.159 19821 1107 1 4 . 1 1 61 61 TYR CA C 61 56.522 56.522 56.656 -0.134 19821 1108 1 4 . 1 1 61 61 TYR H H 61 8.883 8.883 7.867 1.016 19821 1109 1 4 . 1 1 62 62 ARG N N 62 127.580 127.580 125.672 1.908 19821 1110 1 4 . 1 1 62 62 ARG HA H 62 3.766 3.766 4.356 -0.590 19821 1111 1 4 . 1 1 62 62 ARG CA C 62 56.402 56.402 56.494 -0.092 19821 1112 1 4 . 1 1 62 62 ARG H H 62 9.197 9.197 8.661 0.536 19821 1113 1 4 . 1 1 63 63 GLU N N 63 124.048 124.048 125.825 -1.777 19821 1114 1 4 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.568 -0.142 19821 1115 1 4 . 1 1 63 63 GLU CA C 63 53.834 53.834 54.964 -1.130 19821 1116 1 4 . 1 1 63 63 GLU H H 63 8.525 8.525 9.419 -0.894 19821 1117 1 4 . 1 1 64 64 TYR N N 64 121.860 121.860 122.595 -0.735 19821 1118 1 4 . 1 1 64 64 TYR HA H 64 4.536 4.536 5.035 -0.499 19821 1119 1 4 . 1 1 64 64 TYR CA C 64 57.358 57.358 56.675 0.683 19821 1120 1 4 . 1 1 64 64 TYR H H 64 8.578 8.578 8.844 -0.266 19821 1121 1 4 . 1 1 65 65 CYS N N 65 119.180 119.180 124.044 -4.864 19821 1122 1 4 . 1 1 65 65 CYS HA H 65 4.756 4.756 4.648 0.108 19821 1123 1 4 . 1 1 65 65 CYS CA C 65 53.177 53.177 57.519 -4.341 19821 1124 1 4 . 1 1 65 65 CYS H H 65 8.313 8.313 8.520 -0.207 19821 1125 1 4 . 1 1 66 66 LEU N N 66 125.298 125.298 121.260 4.038 19821 1126 1 4 . 1 1 66 66 LEU HA H 66 4.151 4.151 4.984 -0.833 19821 1127 1 4 . 1 1 66 66 LEU CA C 66 55.805 55.805 53.294 2.510 19821 1128 1 4 . 1 1 66 66 LEU H H 66 8.917 8.917 8.914 0.003 19821 1129 1 4 . 1 1 67 67 LYS N N 67 126.834 126.834 120.793 6.041 19821 1130 1 4 . 1 1 67 67 LYS HA H 67 4.169 4.169 4.533 -0.364 19821 1131 1 4 . 1 1 67 67 LYS CA C 67 57.478 57.478 53.498 3.980 19821 1132 1 4 . 1 1 67 67 LYS H H 67 7.966 7.966 8.827 -0.861 19821 1133 1 4 . 1 1 68 68 HIS N N 68 122.718 122.718 126.223 -3.505 19821 1134 1 4 . 1 1 68 68 HIS HA H 68 4.583 4.583 4.744 -0.161 19821 1135 1 4 . 1 1 68 68 HIS CA C 68 55.566 55.566 56.205 -0.639 19821 1136 1 4 . 1 1 68 68 HIS H H 68 8.648 8.648 8.842 -0.194 19821 1137 1 4 . 1 1 69 69 ARG N N 69 125.371 125.371 128.905 -3.534 19821 1138 1 4 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.490 -0.397 19821 1139 1 4 . 1 1 69 69 ARG CA C 69 56.940 56.940 57.211 -0.271 19821 1140 1 4 . 1 1 69 69 ARG H H 69 8.334 8.334 8.599 -0.265 19821 1141 1 4 . 1 1 70 70 ASP N N 70 123.332 123.332 124.618 -1.286 19821 1142 1 4 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.708 -0.281 19821 1143 1 4 . 1 1 70 70 ASP CA C 70 54.908 54.908 53.973 0.935 19821 1144 1 4 . 1 1 70 70 ASP H H 70 8.400 8.400 8.514 -0.114 19821 1145 1 4 . 1 1 71 71 GLU N N 71 123.365 123.365 123.797 -0.432 19821 1146 1 4 . 1 1 71 71 GLU HA H 71 4.077 4.077 4.105 -0.028 19821 1147 1 4 . 1 1 71 71 GLU CA C 71 57.484 57.484 56.897 0.587 19821 1148 1 4 . 1 1 71 71 GLU H H 71 8.300 8.300 8.245 0.055 19821 1149 1 4 . 1 1 72 72 LEU N N 72 123.444 123.444 127.754 -4.310 19821 1150 1 4 . 1 1 72 72 LEU HA H 72 4.114 4.114 4.116 -0.002 19821 1151 1 4 . 1 1 72 72 LEU CA C 72 55.865 55.865 58.185 -2.320 19821 1152 1 4 . 1 1 72 72 LEU H H 72 8.038 8.038 8.739 -0.701 19821 1153 1 4 . 1 1 73 73 ALA N N 73 125.204 125.204 122.256 2.948 19821 1154 1 4 . 1 1 73 73 ALA HA H 73 4.041 4.041 4.099 -0.058 19821 1155 1 4 . 1 1 73 73 ALA CA C 73 53.475 53.475 55.019 -1.544 19821 1156 1 4 . 1 1 73 73 ALA H H 73 7.890 7.890 8.348 -0.458 19821 1157 1 4 . 1 1 74 74 ASP N N 74 120.369 120.369 118.771 1.598 19821 1158 1 4 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.427 -0.020 19821 1159 1 4 . 1 1 74 74 ASP CA C 74 54.790 54.790 56.121 -1.331 19821 1160 1 4 . 1 1 74 74 ASP H H 74 7.980 7.980 7.960 0.020 19821 1161 1 4 . 1 1 75 75 LEU N N 75 123.629 123.629 121.284 2.345 19821 1162 1 4 . 1 1 75 75 LEU HA H 75 3.978 3.978 4.332 -0.354 19821 1163 1 4 . 1 1 75 75 LEU CA C 75 56.343 56.343 58.050 -1.706 19821 1164 1 4 . 1 1 75 75 LEU H H 75 7.902 7.902 8.582 -0.680 19821 1165 1 4 . 1 1 76 76 GLU N N 76 120.501 120.501 119.231 1.270 19821 1166 1 4 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.240 -0.291 19821 1167 1 4 . 1 1 76 76 GLU CA C 76 57.239 57.239 59.172 -1.933 19821 1168 1 4 . 1 1 76 76 GLU H H 76 7.994 7.994 7.972 0.022 19821 1169 1 4 . 1 1 77 77 HIS N N 77 119.010 119.010 118.645 0.365 19821 1170 1 4 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.346 0.053 19821 1171 1 4 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.676 -2.632 19821 1172 1 4 . 1 1 77 77 HIS H H 77 7.959 7.959 7.729 0.230 19821 1173 1 5 . 1 1 4 4 LEU N N 4 125.414 125.414 121.866 3.548 19821 1174 1 5 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.139 0.213 19821 1175 1 5 . 1 1 4 4 LEU CA C 4 54.670 54.670 56.861 -2.191 19821 1176 1 5 . 1 1 4 4 LEU H H 4 7.844 7.844 8.186 -0.342 19821 1177 1 5 . 1 1 5 5 SER N N 5 120.078 120.078 111.855 8.223 19821 1178 1 5 . 1 1 5 5 SER HA H 5 4.279 4.279 4.247 0.032 19821 1179 1 5 . 1 1 5 5 SER CA C 5 57.119 57.119 58.736 -1.617 19821 1180 1 5 . 1 1 5 5 SER H H 5 8.615 8.615 8.009 0.606 19821 1181 1 5 . 1 1 6 6 LEU N N 6 124.468 124.468 119.506 4.962 19821 1182 1 5 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.510 -0.587 19821 1183 1 5 . 1 1 6 6 LEU CA C 6 58.493 58.493 53.956 4.537 19821 1184 1 5 . 1 1 6 6 LEU H H 6 8.719 8.719 7.426 1.293 19821 1185 1 5 . 1 1 7 7 THR N N 7 115.018 115.018 114.131 0.887 19821 1186 1 5 . 1 1 7 7 THR HA H 7 3.344 3.344 4.332 -0.988 19821 1187 1 5 . 1 1 7 7 THR CA C 7 68.469 68.469 61.569 6.900 19821 1188 1 5 . 1 1 7 7 THR H H 7 7.986 7.986 8.806 -0.820 19821 1189 1 5 . 1 1 8 8 GLN N N 8 120.628 120.628 121.442 -0.814 19821 1190 1 5 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.146 -0.417 19821 1191 1 5 . 1 1 8 8 GLN CA C 8 59.628 59.628 59.478 0.150 19821 1192 1 5 . 1 1 8 8 GLN H H 8 7.398 7.398 8.882 -1.484 19821 1193 1 5 . 1 1 9 9 LEU N N 9 121.103 121.103 121.127 -0.024 19821 1194 1 5 . 1 1 9 9 LEU HA H 9 3.959 3.959 3.886 0.073 19821 1195 1 5 . 1 1 9 9 LEU CA C 9 58.553 58.553 60.151 -1.598 19821 1196 1 5 . 1 1 9 9 LEU H H 9 8.324 8.324 8.077 0.247 19821 1197 1 5 . 1 1 10 10 ILE N N 10 119.788 119.788 122.038 -2.250 19821 1198 1 5 . 1 1 10 10 ILE HA H 10 3.226 3.226 3.890 -0.664 19821 1199 1 5 . 1 1 10 10 ILE CA C 10 66.319 66.319 64.745 1.574 19821 1200 1 5 . 1 1 10 10 ILE H H 10 8.149 8.149 7.728 0.421 19821 1201 1 5 . 1 1 11 11 LEU N N 11 119.842 119.842 120.787 -0.945 19821 1202 1 5 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.143 -0.451 19821 1203 1 5 . 1 1 11 11 LEU CA C 11 58.911 58.911 58.178 0.733 19821 1204 1 5 . 1 1 11 11 LEU H H 11 7.847 7.847 8.442 -0.595 19821 1205 1 5 . 1 1 12 12 ILE N N 12 123.069 123.069 119.292 3.777 19821 1206 1 5 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.621 -0.102 19821 1207 1 5 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.572 -0.329 19821 1208 1 5 . 1 1 12 12 ILE H H 12 8.323 8.323 8.110 0.213 19821 1209 1 5 . 1 1 13 13 ARG N N 13 124.216 124.216 120.128 4.088 19821 1210 1 5 . 1 1 13 13 ARG HA H 13 3.619 3.619 3.929 -0.310 19821 1211 1 5 . 1 1 13 13 ARG CA C 13 57.717 57.717 59.613 -1.896 19821 1212 1 5 . 1 1 13 13 ARG H H 13 7.796 7.796 7.966 -0.170 19821 1213 1 5 . 1 1 14 14 LEU N N 14 118.657 118.657 119.177 -0.520 19821 1214 1 5 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.886 0.485 19821 1215 1 5 . 1 1 14 14 LEU CA C 14 56.641 56.641 58.476 -1.835 19821 1216 1 5 . 1 1 14 14 LEU H H 14 8.450 8.450 8.297 0.153 19821 1217 1 5 . 1 1 15 15 SER N N 15 116.873 116.873 115.353 1.520 19821 1218 1 5 . 1 1 15 15 SER HA H 15 3.949 3.949 4.022 -0.073 19821 1219 1 5 . 1 1 15 15 SER CA C 15 61.540 61.540 60.495 1.045 19821 1220 1 5 . 1 1 15 15 SER H H 15 7.864 7.864 7.866 -0.002 19821 1221 1 5 . 1 1 16 16 ASN N N 16 118.994 118.994 115.159 3.835 19821 1222 1 5 . 1 1 16 16 ASN HA H 16 4.491 4.491 4.677 -0.186 19821 1223 1 5 . 1 1 16 16 ASN CA C 16 55.626 55.626 54.338 1.288 19821 1224 1 5 . 1 1 16 16 ASN H H 16 7.804 7.804 8.117 -0.313 19821 1225 1 5 . 1 1 17 17 ARG N N 17 117.557 117.557 119.443 -1.886 19821 1226 1 5 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.287 0.010 19821 1227 1 5 . 1 1 17 17 ARG CA C 17 54.610 54.610 58.684 -4.074 19821 1228 1 5 . 1 1 17 17 ARG H H 17 8.343 8.343 8.316 0.027 19821 1229 1 5 . 1 1 18 18 GLY N N 18 110.623 110.623 109.878 0.745 19821 1230 1 5 . 1 1 18 18 GLY CA C 18 44.455 44.455 46.114 -1.659 19821 1231 1 5 . 1 1 18 18 GLY H H 18 7.303 7.303 7.912 -0.609 19821 1232 1 5 . 1 1 19 19 CYS N N 19 117.667 117.667 115.403 2.264 19821 1233 1 5 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.613 0.289 19821 1234 1 5 . 1 1 19 19 CYS CA C 19 58.254 58.254 58.856 -0.602 19821 1235 1 5 . 1 1 19 19 CYS H H 19 7.950 7.950 7.614 0.336 19821 1236 1 5 . 1 1 20 20 GLN N N 20 121.882 121.882 118.595 3.287 19821 1237 1 5 . 1 1 20 20 GLN HA H 20 5.104 5.104 4.195 0.909 19821 1238 1 5 . 1 1 20 20 GLN CA C 20 53.714 53.714 56.307 -2.593 19821 1239 1 5 . 1 1 20 20 GLN H H 20 8.615 8.615 8.514 0.101 19821 1240 1 5 . 1 1 21 21 THR N N 21 116.183 116.183 115.988 0.195 19821 1241 1 5 . 1 1 21 21 THR HA H 21 4.847 4.847 5.437 -0.590 19821 1242 1 5 . 1 1 21 21 THR CA C 21 60.763 60.763 60.955 -0.192 19821 1243 1 5 . 1 1 21 21 THR H H 21 9.557 9.557 7.494 2.063 19821 1244 1 5 . 1 1 22 22 LEU N N 22 123.325 123.325 126.298 -2.973 19821 1245 1 5 . 1 1 22 22 LEU HA H 22 3.777 3.777 4.765 -0.988 19821 1246 1 5 . 1 1 22 22 LEU CA C 22 59.270 59.270 52.556 6.714 19821 1247 1 5 . 1 1 22 22 LEU H H 22 9.257 9.257 9.042 0.215 19821 1248 1 5 . 1 1 23 23 GLU N N 23 120.097 120.097 117.432 2.665 19821 1249 1 5 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.671 -0.748 19821 1250 1 5 . 1 1 23 23 GLU CA C 23 61.241 61.241 55.571 5.670 19821 1251 1 5 . 1 1 23 23 GLU H H 23 9.030 9.030 8.469 0.561 19821 1252 1 5 . 1 1 24 24 GLU N N 24 122.438 122.438 122.628 -0.190 19821 1253 1 5 . 1 1 24 24 GLU HA H 24 3.912 3.912 4.093 -0.181 19821 1254 1 5 . 1 1 24 24 GLU CA C 24 59.270 59.270 60.175 -0.905 19821 1255 1 5 . 1 1 24 24 GLU H H 24 7.734 7.734 8.805 -1.071 19821 1256 1 5 . 1 1 25 25 LEU N N 25 123.263 123.263 118.967 4.296 19821 1257 1 5 . 1 1 25 25 LEU HA H 25 4.132 4.132 4.170 -0.038 19821 1258 1 5 . 1 1 25 25 LEU CA C 25 58.314 58.314 57.800 0.513 19821 1259 1 5 . 1 1 25 25 LEU H H 25 8.350 8.350 8.448 -0.098 19821 1260 1 5 . 1 1 26 26 GLU N N 26 129.504 129.504 121.084 8.420 19821 1261 1 5 . 1 1 26 26 GLU HA H 26 3.601 3.601 4.176 -0.575 19821 1262 1 5 . 1 1 26 26 GLU CA C 26 60.942 60.942 58.837 2.105 19821 1263 1 5 . 1 1 26 26 GLU H H 26 9.362 9.362 7.987 1.375 19821 1264 1 5 . 1 1 27 27 GLU N N 27 121.392 121.392 118.529 2.863 19821 1265 1 5 . 1 1 27 27 GLU HA H 27 3.857 3.857 4.070 -0.213 19821 1266 1 5 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.641 -0.252 19821 1267 1 5 . 1 1 27 27 GLU H H 27 7.741 7.741 8.571 -0.830 19821 1268 1 5 . 1 1 28 28 PHE N N 28 117.204 117.204 120.866 -3.662 19821 1269 1 5 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.140 0.157 19821 1270 1 5 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.313 -0.490 19821 1271 1 5 . 1 1 28 28 PHE H H 28 7.392 7.392 8.367 -0.975 19821 1272 1 5 . 1 1 29 29 THR N N 29 107.601 107.601 112.953 -5.352 19821 1273 1 5 . 1 1 29 29 THR HA H 29 3.472 3.472 4.089 -0.617 19821 1274 1 5 . 1 1 29 29 THR CA C 29 63.989 63.989 64.365 -0.376 19821 1275 1 5 . 1 1 29 29 THR H H 29 8.220 8.220 7.926 0.294 19821 1276 1 5 . 1 1 30 30 GLN N N 30 116.862 116.862 119.646 -2.784 19821 1277 1 5 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.069 -0.340 19821 1278 1 5 . 1 1 30 30 GLN CA C 30 57.478 57.478 59.072 -1.594 19821 1279 1 5 . 1 1 30 30 GLN H H 30 7.974 7.974 8.113 -0.139 19821 1280 1 5 . 1 1 31 31 ALA N N 31 122.778 122.778 118.144 4.634 19821 1281 1 5 . 1 1 31 31 ALA HA H 31 4.213 4.213 3.897 0.316 19821 1282 1 5 . 1 1 31 31 ALA CA C 31 51.265 51.265 53.728 -2.463 19821 1283 1 5 . 1 1 31 31 ALA H H 31 7.384 7.384 7.978 -0.594 19821 1284 1 5 . 1 1 32 32 LYS N N 32 121.107 121.107 117.031 4.076 19821 1285 1 5 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.901 0.158 19821 1286 1 5 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.251 -0.968 19821 1287 1 5 . 1 1 32 32 LYS H H 32 8.194 8.194 7.823 0.371 19821 1288 1 5 . 1 1 33 33 ARG N N 33 126.754 126.754 118.721 8.033 19821 1289 1 5 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.424 -0.155 19821 1290 1 5 . 1 1 33 33 ARG CA C 33 61.002 61.002 55.773 5.229 19821 1291 1 5 . 1 1 33 33 ARG H H 33 8.690 8.690 7.675 1.015 19821 1292 1 5 . 1 1 34 34 GLU N N 34 117.537 117.537 121.787 -4.250 19821 1293 1 5 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.172 -0.315 19821 1294 1 5 . 1 1 34 34 GLU CA C 34 60.619 60.619 56.782 3.837 19821 1295 1 5 . 1 1 34 34 GLU H H 34 9.236 9.236 8.703 0.533 19821 1296 1 5 . 1 1 35 35 VAL N N 35 121.054 121.054 125.498 -4.444 19821 1297 1 5 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.693 -0.019 19821 1298 1 5 . 1 1 35 35 VAL CA C 35 65.064 65.064 66.617 -1.553 19821 1299 1 5 . 1 1 35 35 VAL H H 35 6.681 6.681 8.808 -2.127 19821 1300 1 5 . 1 1 36 36 LEU N N 36 126.417 126.417 121.212 5.205 19821 1301 1 5 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.109 -0.490 19821 1302 1 5 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.947 0.845 19821 1303 1 5 . 1 1 36 36 LEU H H 36 8.140 8.140 8.482 -0.342 19821 1304 1 5 . 1 1 37 37 LEU N N 37 120.272 120.272 119.791 0.481 19821 1305 1 5 . 1 1 37 37 LEU HA H 37 3.766 3.766 3.912 -0.146 19821 1306 1 5 . 1 1 37 37 LEU CA C 37 58.911 58.911 58.199 0.712 19821 1307 1 5 . 1 1 37 37 LEU H H 37 8.492 8.492 8.003 0.489 19821 1308 1 5 . 1 1 38 38 VAL N N 38 122.614 122.614 120.065 2.549 19821 1309 1 5 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.762 -0.161 19821 1310 1 5 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.834 1.082 19821 1311 1 5 . 1 1 38 38 VAL H H 38 7.508 7.508 8.323 -0.815 19821 1312 1 5 . 1 1 39 39 THR N N 39 120.141 120.141 111.996 8.145 19821 1313 1 5 . 1 1 39 39 THR HA H 39 3.678 3.678 3.850 -0.172 19821 1314 1 5 . 1 1 39 39 THR CA C 39 67.812 67.812 65.285 2.527 19821 1315 1 5 . 1 1 39 39 THR H H 39 7.626 7.626 7.843 -0.217 19821 1316 1 5 . 1 1 40 40 LEU N N 40 123.404 123.404 121.523 1.881 19821 1317 1 5 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.792 -0.163 19821 1318 1 5 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.695 -1.262 19821 1319 1 5 . 1 1 40 40 LEU H H 40 8.644 8.644 8.254 0.390 19821 1320 1 5 . 1 1 41 41 THR N N 41 119.278 119.278 116.802 2.476 19821 1321 1 5 . 1 1 41 41 THR HA H 41 3.839 3.839 4.025 -0.186 19821 1322 1 5 . 1 1 41 41 THR CA C 41 67.573 67.573 67.617 -0.044 19821 1323 1 5 . 1 1 41 41 THR H H 41 8.169 8.169 8.097 0.072 19821 1324 1 5 . 1 1 42 42 ARG N N 42 124.625 124.625 120.594 4.031 19821 1325 1 5 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.864 0.140 19821 1326 1 5 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.218 0.649 19821 1327 1 5 . 1 1 42 42 ARG H H 42 7.748 7.748 8.443 -0.695 19821 1328 1 5 . 1 1 43 43 LEU N N 43 120.115 120.115 122.179 -2.064 19821 1329 1 5 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.109 -0.215 19821 1330 1 5 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.212 -2.077 19821 1331 1 5 . 1 1 43 43 LEU H H 43 7.963 7.963 8.192 -0.229 19821 1332 1 5 . 1 1 44 44 HIS N N 44 123.297 123.297 120.580 2.717 19821 1333 1 5 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.324 0.083 19821 1334 1 5 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.569 0.119 19821 1335 1 5 . 1 1 44 44 HIS H H 44 8.454 8.454 8.137 0.317 19821 1336 1 5 . 1 1 45 45 GLN N N 45 124.648 124.648 117.466 7.182 19821 1337 1 5 . 1 1 45 45 GLN HA H 45 3.821 3.821 4.032 -0.211 19821 1338 1 5 . 1 1 45 45 GLN CA C 45 59.270 59.270 58.212 1.058 19821 1339 1 5 . 1 1 45 45 GLN H H 45 8.626 8.626 8.430 0.196 19821 1340 1 5 . 1 1 46 46 ARG N N 46 117.047 117.047 121.030 -3.983 19821 1341 1 5 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.194 -0.025 19821 1342 1 5 . 1 1 46 46 ARG CA C 46 56.641 56.641 59.325 -2.684 19821 1343 1 5 . 1 1 46 46 ARG H H 46 7.628 7.628 8.078 -0.450 19821 1344 1 5 . 1 1 47 47 GLY N N 47 109.401 109.401 107.222 2.179 19821 1345 1 5 . 1 1 47 47 GLY CA C 47 46.128 46.128 47.329 -1.201 19821 1346 1 5 . 1 1 47 47 GLY H H 47 7.763 7.763 8.156 -0.393 19821 1347 1 5 . 1 1 48 48 VAL N N 48 118.932 118.932 116.503 2.429 19821 1348 1 5 . 1 1 48 48 VAL HA H 48 3.801 3.801 3.982 -0.181 19821 1349 1 5 . 1 1 48 48 VAL CA C 48 64.168 64.168 62.742 1.426 19821 1350 1 5 . 1 1 48 48 VAL H H 48 7.787 7.787 7.713 0.074 19821 1351 1 5 . 1 1 49 49 ILE N N 49 110.494 110.494 118.539 -8.045 19821 1352 1 5 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.535 1.679 19821 1353 1 5 . 1 1 49 49 ILE CA C 49 58.075 58.075 61.491 -3.416 19821 1354 1 5 . 1 1 49 49 ILE H H 49 6.766 6.766 7.327 -0.561 19821 1355 1 5 . 1 1 50 50 TYR N N 50 120.330 120.330 120.111 0.219 19821 1356 1 5 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.664 0.220 19821 1357 1 5 . 1 1 50 50 TYR CA C 50 55.805 55.805 59.728 -3.923 19821 1358 1 5 . 1 1 50 50 TYR H H 50 9.025 9.025 8.294 0.731 19821 1359 1 5 . 1 1 51 51 ARG N N 51 120.608 120.608 117.972 2.636 19821 1360 1 5 . 1 1 51 51 ARG HA H 51 4.957 4.957 4.958 -0.001 19821 1361 1 5 . 1 1 51 51 ARG CA C 51 53.834 53.834 52.874 0.960 19821 1362 1 5 . 1 1 51 51 ARG H H 51 8.511 8.511 7.556 0.955 19821 1363 1 5 . 1 1 52 52 LYS N N 52 121.992 121.992 127.319 -5.327 19821 1364 1 5 . 1 1 52 52 LYS HA H 52 4.371 4.371 5.093 -0.722 19821 1365 1 5 . 1 1 52 52 LYS CA C 52 55.626 55.626 54.533 1.093 19821 1366 1 5 . 1 1 52 52 LYS H H 52 8.324 8.324 9.402 -1.078 19821 1367 1 5 . 1 1 53 53 TRP N N 53 121.803 121.803 121.074 0.729 19821 1368 1 5 . 1 1 53 53 TRP HA H 53 4.996 4.996 5.464 -0.468 19821 1369 1 5 . 1 1 53 53 TRP CA C 53 56.462 56.462 55.162 1.300 19821 1370 1 5 . 1 1 53 53 TRP H H 53 8.457 8.457 8.686 -0.229 19821 1371 1 5 . 1 1 54 54 ARG N N 54 127.059 127.059 120.336 6.723 19821 1372 1 5 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.677 -0.215 19821 1373 1 5 . 1 1 54 54 ARG CA C 54 55.088 55.088 55.235 -0.147 19821 1374 1 5 . 1 1 54 54 ARG H H 54 9.555 9.555 8.695 0.860 19821 1375 1 5 . 1 1 55 55 HIS N N 55 127.930 127.930 118.985 8.945 19821 1376 1 5 . 1 1 55 55 HIS HA H 55 5.089 5.089 5.146 -0.057 19821 1377 1 5 . 1 1 55 55 HIS CA C 55 55.984 55.984 54.605 1.379 19821 1378 1 5 . 1 1 55 55 HIS H H 55 9.019 9.019 8.566 0.453 19821 1379 1 5 . 1 1 56 56 PHE N N 56 125.912 125.912 123.833 2.079 19821 1380 1 5 . 1 1 56 56 PHE HA H 56 4.627 4.627 4.908 -0.281 19821 1381 1 5 . 1 1 56 56 PHE CA C 56 58.195 58.195 56.937 1.258 19821 1382 1 5 . 1 1 56 56 PHE H H 56 8.707 8.707 8.726 -0.019 19821 1383 1 5 . 1 1 57 57 SER N N 57 124.434 124.434 120.089 4.345 19821 1384 1 5 . 1 1 57 57 SER HA H 57 3.727 3.727 5.759 -2.032 19821 1385 1 5 . 1 1 57 57 SER CA C 57 58.433 58.433 57.155 1.278 19821 1386 1 5 . 1 1 57 57 SER H H 57 8.829 8.829 8.686 0.143 19821 1387 1 5 . 1 1 58 58 GLY N N 58 108.465 108.465 113.483 -5.018 19821 1388 1 5 . 1 1 58 58 GLY CA C 58 45.769 45.769 45.279 0.490 19821 1389 1 5 . 1 1 58 58 GLY H H 58 8.456 8.456 8.856 -0.400 19821 1390 1 5 . 1 1 59 59 ARG N N 59 122.424 122.424 126.330 -3.906 19821 1391 1 5 . 1 1 59 59 ARG HA H 59 4.381 4.381 3.687 0.694 19821 1392 1 5 . 1 1 59 59 ARG CA C 59 54.849 54.849 56.283 -1.435 19821 1393 1 5 . 1 1 59 59 ARG H H 59 7.803 7.803 8.868 -1.065 19821 1394 1 5 . 1 1 60 60 LYS N N 60 121.613 121.613 116.642 4.971 19821 1395 1 5 . 1 1 60 60 LYS HA H 60 5.041 5.041 4.002 1.039 19821 1396 1 5 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.346 -1.224 19821 1397 1 5 . 1 1 60 60 LYS H H 60 7.912 7.912 8.305 -0.393 19821 1398 1 5 . 1 1 61 61 TYR N N 61 122.435 122.435 121.002 1.433 19821 1399 1 5 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.683 0.219 19821 1400 1 5 . 1 1 61 61 TYR CA C 61 56.522 56.522 56.994 -0.472 19821 1401 1 5 . 1 1 61 61 TYR H H 61 8.883 8.883 7.939 0.944 19821 1402 1 5 . 1 1 62 62 ARG N N 62 127.580 127.580 122.720 4.860 19821 1403 1 5 . 1 1 62 62 ARG HA H 62 3.766 3.766 5.000 -1.234 19821 1404 1 5 . 1 1 62 62 ARG CA C 62 56.402 56.402 55.748 0.653 19821 1405 1 5 . 1 1 62 62 ARG H H 62 9.197 9.197 8.490 0.707 19821 1406 1 5 . 1 1 63 63 GLU N N 63 124.048 124.048 124.584 -0.536 19821 1407 1 5 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.420 0.006 19821 1408 1 5 . 1 1 63 63 GLU CA C 63 53.834 53.834 54.685 -0.851 19821 1409 1 5 . 1 1 63 63 GLU H H 63 8.525 8.525 9.459 -0.934 19821 1410 1 5 . 1 1 64 64 TYR N N 64 121.860 121.860 126.327 -4.467 19821 1411 1 5 . 1 1 64 64 TYR HA H 64 4.536 4.536 4.020 0.516 19821 1412 1 5 . 1 1 64 64 TYR CA C 64 57.358 57.358 57.673 -0.315 19821 1413 1 5 . 1 1 64 64 TYR H H 64 8.578 8.578 8.874 -0.296 19821 1414 1 5 . 1 1 65 65 CYS N N 65 119.180 119.180 124.686 -5.506 19821 1415 1 5 . 1 1 65 65 CYS HA H 65 4.756 4.756 5.183 -0.427 19821 1416 1 5 . 1 1 65 65 CYS CA C 65 53.177 53.177 57.506 -4.329 19821 1417 1 5 . 1 1 65 65 CYS H H 65 8.313 8.313 8.350 -0.037 19821 1418 1 5 . 1 1 66 66 LEU N N 66 125.298 125.298 121.033 4.265 19821 1419 1 5 . 1 1 66 66 LEU HA H 66 4.151 4.151 5.342 -1.191 19821 1420 1 5 . 1 1 66 66 LEU CA C 66 55.805 55.805 53.255 2.550 19821 1421 1 5 . 1 1 66 66 LEU H H 66 8.917 8.917 9.246 -0.329 19821 1422 1 5 . 1 1 67 67 LYS N N 67 126.834 126.834 121.238 5.596 19821 1423 1 5 . 1 1 67 67 LYS HA H 67 4.169 4.169 5.199 -1.030 19821 1424 1 5 . 1 1 67 67 LYS CA C 67 57.478 57.478 53.332 4.146 19821 1425 1 5 . 1 1 67 67 LYS H H 67 7.966 7.966 9.367 -1.401 19821 1426 1 5 . 1 1 68 68 HIS N N 68 122.718 122.718 125.379 -2.661 19821 1427 1 5 . 1 1 68 68 HIS HA H 68 4.583 4.583 4.830 -0.247 19821 1428 1 5 . 1 1 68 68 HIS CA C 68 55.566 55.566 56.802 -1.236 19821 1429 1 5 . 1 1 68 68 HIS H H 68 8.648 8.648 8.518 0.130 19821 1430 1 5 . 1 1 69 69 ARG N N 69 125.371 125.371 126.007 -0.636 19821 1431 1 5 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.074 0.019 19821 1432 1 5 . 1 1 69 69 ARG CA C 69 56.940 56.940 58.896 -1.956 19821 1433 1 5 . 1 1 69 69 ARG H H 69 8.334 8.334 8.481 -0.147 19821 1434 1 5 . 1 1 70 70 ASP N N 70 123.332 123.332 119.408 3.924 19821 1435 1 5 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.510 -0.083 19821 1436 1 5 . 1 1 70 70 ASP CA C 70 54.908 54.908 54.560 0.348 19821 1437 1 5 . 1 1 70 70 ASP H H 70 8.400 8.400 8.269 0.131 19821 1438 1 5 . 1 1 71 71 GLU N N 71 123.365 123.365 126.472 -3.107 19821 1439 1 5 . 1 1 71 71 GLU HA H 71 4.077 4.077 3.950 0.127 19821 1440 1 5 . 1 1 71 71 GLU CA C 71 57.484 57.484 57.304 0.180 19821 1441 1 5 . 1 1 71 71 GLU H H 71 8.300 8.300 8.123 0.177 19821 1442 1 5 . 1 1 72 72 LEU N N 72 123.444 123.444 127.754 -4.310 19821 1443 1 5 . 1 1 72 72 LEU HA H 72 4.114 4.114 3.982 0.132 19821 1444 1 5 . 1 1 72 72 LEU CA C 72 55.865 55.865 58.538 -2.674 19821 1445 1 5 . 1 1 72 72 LEU H H 72 8.038 8.038 8.683 -0.645 19821 1446 1 5 . 1 1 73 73 ALA N N 73 125.204 125.204 122.971 2.233 19821 1447 1 5 . 1 1 73 73 ALA HA H 73 4.041 4.041 3.974 0.067 19821 1448 1 5 . 1 1 73 73 ALA CA C 73 53.475 53.475 55.127 -1.652 19821 1449 1 5 . 1 1 73 73 ALA H H 73 7.890 7.890 8.329 -0.439 19821 1450 1 5 . 1 1 74 74 ASP N N 74 120.369 120.369 117.916 2.453 19821 1451 1 5 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.316 0.091 19821 1452 1 5 . 1 1 74 74 ASP CA C 74 54.790 54.790 56.083 -1.293 19821 1453 1 5 . 1 1 74 74 ASP H H 74 7.980 7.980 7.978 0.002 19821 1454 1 5 . 1 1 75 75 LEU N N 75 123.629 123.629 121.071 2.558 19821 1455 1 5 . 1 1 75 75 LEU HA H 75 3.978 3.978 3.968 0.010 19821 1456 1 5 . 1 1 75 75 LEU CA C 75 56.343 56.343 57.610 -1.267 19821 1457 1 5 . 1 1 75 75 LEU H H 75 7.902 7.902 8.243 -0.341 19821 1458 1 5 . 1 1 76 76 GLU N N 76 120.501 120.501 118.697 1.804 19821 1459 1 5 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.054 -0.105 19821 1460 1 5 . 1 1 76 76 GLU CA C 76 57.239 57.239 58.910 -1.671 19821 1461 1 5 . 1 1 76 76 GLU H H 76 7.994 7.994 7.877 0.117 19821 1462 1 5 . 1 1 77 77 HIS N N 77 119.010 119.010 117.841 1.169 19821 1463 1 5 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.313 0.086 19821 1464 1 5 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.501 -2.457 19821 1465 1 5 . 1 1 77 77 HIS H H 77 7.959 7.959 7.683 0.276 19821 1466 1 6 . 1 1 4 4 LEU N N 4 125.414 125.414 122.008 3.406 19821 1467 1 6 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.161 0.191 19821 1468 1 6 . 1 1 4 4 LEU CA C 4 54.670 54.670 56.880 -2.210 19821 1469 1 6 . 1 1 4 4 LEU H H 4 7.844 7.844 8.202 -0.358 19821 1470 1 6 . 1 1 5 5 SER N N 5 120.078 120.078 111.774 8.304 19821 1471 1 6 . 1 1 5 5 SER HA H 5 4.279 4.279 4.274 0.005 19821 1472 1 6 . 1 1 5 5 SER CA C 5 57.119 57.119 58.635 -1.516 19821 1473 1 6 . 1 1 5 5 SER H H 5 8.615 8.615 8.037 0.578 19821 1474 1 6 . 1 1 6 6 LEU N N 6 124.468 124.468 119.341 5.127 19821 1475 1 6 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.544 -0.621 19821 1476 1 6 . 1 1 6 6 LEU CA C 6 58.493 58.493 53.776 4.716 19821 1477 1 6 . 1 1 6 6 LEU H H 6 8.719 8.719 7.416 1.303 19821 1478 1 6 . 1 1 7 7 THR N N 7 115.018 115.018 114.481 0.537 19821 1479 1 6 . 1 1 7 7 THR HA H 7 3.344 3.344 4.398 -1.054 19821 1480 1 6 . 1 1 7 7 THR CA C 7 68.469 68.469 61.430 7.039 19821 1481 1 6 . 1 1 7 7 THR H H 7 7.986 7.986 8.847 -0.861 19821 1482 1 6 . 1 1 8 8 GLN N N 8 120.628 120.628 120.605 0.023 19821 1483 1 6 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.164 -0.435 19821 1484 1 6 . 1 1 8 8 GLN CA C 8 59.628 59.628 59.420 0.208 19821 1485 1 6 . 1 1 8 8 GLN H H 8 7.398 7.398 8.923 -1.525 19821 1486 1 6 . 1 1 9 9 LEU N N 9 121.103 121.103 121.861 -0.758 19821 1487 1 6 . 1 1 9 9 LEU HA H 9 3.959 3.959 3.910 0.049 19821 1488 1 6 . 1 1 9 9 LEU CA C 9 58.553 58.553 59.799 -1.246 19821 1489 1 6 . 1 1 9 9 LEU H H 9 8.324 8.324 8.065 0.259 19821 1490 1 6 . 1 1 10 10 ILE N N 10 119.788 119.788 121.985 -2.197 19821 1491 1 6 . 1 1 10 10 ILE HA H 10 3.226 3.226 3.860 -0.634 19821 1492 1 6 . 1 1 10 10 ILE CA C 10 66.319 66.319 64.812 1.507 19821 1493 1 6 . 1 1 10 10 ILE H H 10 8.149 8.149 7.859 0.290 19821 1494 1 6 . 1 1 11 11 LEU N N 11 119.842 119.842 120.328 -0.486 19821 1495 1 6 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.157 -0.465 19821 1496 1 6 . 1 1 11 11 LEU CA C 11 58.911 58.911 58.131 0.780 19821 1497 1 6 . 1 1 11 11 LEU H H 11 7.847 7.847 8.324 -0.477 19821 1498 1 6 . 1 1 12 12 ILE N N 12 123.069 123.069 119.287 3.782 19821 1499 1 6 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.580 -0.061 19821 1500 1 6 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.608 -0.365 19821 1501 1 6 . 1 1 12 12 ILE H H 12 8.323 8.323 7.870 0.453 19821 1502 1 6 . 1 1 13 13 ARG N N 13 124.216 124.216 119.110 5.106 19821 1503 1 6 . 1 1 13 13 ARG HA H 13 3.619 3.619 3.948 -0.329 19821 1504 1 6 . 1 1 13 13 ARG CA C 13 57.717 57.717 59.165 -1.448 19821 1505 1 6 . 1 1 13 13 ARG H H 13 7.796 7.796 7.845 -0.049 19821 1506 1 6 . 1 1 14 14 LEU N N 14 118.657 118.657 120.920 -2.263 19821 1507 1 6 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.891 0.480 19821 1508 1 6 . 1 1 14 14 LEU CA C 14 56.641 56.641 58.616 -1.975 19821 1509 1 6 . 1 1 14 14 LEU H H 14 8.450 8.450 8.425 0.025 19821 1510 1 6 . 1 1 15 15 SER N N 15 116.873 116.873 115.035 1.838 19821 1511 1 6 . 1 1 15 15 SER HA H 15 3.949 3.949 3.847 0.102 19821 1512 1 6 . 1 1 15 15 SER CA C 15 61.540 61.540 60.338 1.202 19821 1513 1 6 . 1 1 15 15 SER H H 15 7.864 7.864 7.662 0.202 19821 1514 1 6 . 1 1 16 16 ASN N N 16 118.994 118.994 115.649 3.345 19821 1515 1 6 . 1 1 16 16 ASN HA H 16 4.491 4.491 4.526 -0.035 19821 1516 1 6 . 1 1 16 16 ASN CA C 16 55.626 55.626 55.537 0.089 19821 1517 1 6 . 1 1 16 16 ASN H H 16 7.804 7.804 8.479 -0.675 19821 1518 1 6 . 1 1 17 17 ARG N N 17 117.557 117.557 118.314 -0.757 19821 1519 1 6 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.232 0.065 19821 1520 1 6 . 1 1 17 17 ARG CA C 17 54.610 54.610 58.580 -3.970 19821 1521 1 6 . 1 1 17 17 ARG H H 17 8.343 8.343 8.180 0.163 19821 1522 1 6 . 1 1 18 18 GLY N N 18 110.623 110.623 109.703 0.920 19821 1523 1 6 . 1 1 18 18 GLY CA C 18 44.455 44.455 47.196 -2.741 19821 1524 1 6 . 1 1 18 18 GLY H H 18 7.303 7.303 7.521 -0.218 19821 1525 1 6 . 1 1 19 19 CYS N N 19 117.667 117.667 115.755 1.912 19821 1526 1 6 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.736 0.166 19821 1527 1 6 . 1 1 19 19 CYS CA C 19 58.254 58.254 57.762 0.492 19821 1528 1 6 . 1 1 19 19 CYS H H 19 7.950 7.950 7.945 0.005 19821 1529 1 6 . 1 1 20 20 GLN N N 20 121.882 121.882 120.184 1.698 19821 1530 1 6 . 1 1 20 20 GLN HA H 20 5.104 5.104 3.989 1.115 19821 1531 1 6 . 1 1 20 20 GLN CA C 20 53.714 53.714 56.915 -3.201 19821 1532 1 6 . 1 1 20 20 GLN H H 20 8.615 8.615 8.589 0.026 19821 1533 1 6 . 1 1 21 21 THR N N 21 116.183 116.183 117.395 -1.212 19821 1534 1 6 . 1 1 21 21 THR HA H 21 4.847 4.847 5.372 -0.525 19821 1535 1 6 . 1 1 21 21 THR CA C 21 60.763 60.763 60.791 -0.028 19821 1536 1 6 . 1 1 21 21 THR H H 21 9.557 9.557 7.877 1.680 19821 1537 1 6 . 1 1 22 22 LEU N N 22 123.325 123.325 127.898 -4.573 19821 1538 1 6 . 1 1 22 22 LEU HA H 22 3.777 3.777 5.099 -1.322 19821 1539 1 6 . 1 1 22 22 LEU CA C 22 59.270 59.270 52.565 6.705 19821 1540 1 6 . 1 1 22 22 LEU H H 22 9.257 9.257 9.110 0.147 19821 1541 1 6 . 1 1 23 23 GLU N N 23 120.097 120.097 117.868 2.229 19821 1542 1 6 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.524 -0.601 19821 1543 1 6 . 1 1 23 23 GLU CA C 23 61.241 61.241 55.224 6.018 19821 1544 1 6 . 1 1 23 23 GLU H H 23 9.030 9.030 9.350 -0.320 19821 1545 1 6 . 1 1 24 24 GLU N N 24 122.438 122.438 121.549 0.889 19821 1546 1 6 . 1 1 24 24 GLU HA H 24 3.912 3.912 4.010 -0.098 19821 1547 1 6 . 1 1 24 24 GLU CA C 24 59.270 59.270 60.246 -0.976 19821 1548 1 6 . 1 1 24 24 GLU H H 24 7.734 7.734 9.349 -1.615 19821 1549 1 6 . 1 1 25 25 LEU N N 25 123.263 123.263 120.270 2.993 19821 1550 1 6 . 1 1 25 25 LEU HA H 25 4.132 4.132 3.958 0.174 19821 1551 1 6 . 1 1 25 25 LEU CA C 25 58.314 58.314 58.399 -0.085 19821 1552 1 6 . 1 1 25 25 LEU H H 25 8.350 8.350 8.619 -0.269 19821 1553 1 6 . 1 1 26 26 GLU N N 26 129.504 129.504 119.474 10.030 19821 1554 1 6 . 1 1 26 26 GLU HA H 26 3.601 3.601 4.119 -0.518 19821 1555 1 6 . 1 1 26 26 GLU CA C 26 60.942 60.942 59.095 1.847 19821 1556 1 6 . 1 1 26 26 GLU H H 26 9.362 9.362 7.903 1.459 19821 1557 1 6 . 1 1 27 27 GLU N N 27 121.392 121.392 118.687 2.705 19821 1558 1 6 . 1 1 27 27 GLU HA H 27 3.857 3.857 4.016 -0.159 19821 1559 1 6 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.699 -0.310 19821 1560 1 6 . 1 1 27 27 GLU H H 27 7.741 7.741 8.557 -0.816 19821 1561 1 6 . 1 1 28 28 PHE N N 28 117.204 117.204 120.771 -3.567 19821 1562 1 6 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.339 -0.042 19821 1563 1 6 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.103 -0.280 19821 1564 1 6 . 1 1 28 28 PHE H H 28 7.392 7.392 8.327 -0.935 19821 1565 1 6 . 1 1 29 29 THR N N 29 107.601 107.601 112.467 -4.866 19821 1566 1 6 . 1 1 29 29 THR HA H 29 3.472 3.472 4.079 -0.607 19821 1567 1 6 . 1 1 29 29 THR CA C 29 63.989 63.989 64.515 -0.526 19821 1568 1 6 . 1 1 29 29 THR H H 29 8.220 8.220 7.900 0.320 19821 1569 1 6 . 1 1 30 30 GLN N N 30 116.862 116.862 117.926 -1.064 19821 1570 1 6 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.241 -0.512 19821 1571 1 6 . 1 1 30 30 GLN CA C 30 57.478 57.478 58.555 -1.077 19821 1572 1 6 . 1 1 30 30 GLN H H 30 7.974 7.974 7.874 0.100 19821 1573 1 6 . 1 1 31 31 ALA N N 31 122.778 122.778 119.504 3.274 19821 1574 1 6 . 1 1 31 31 ALA HA H 31 4.213 4.213 3.942 0.271 19821 1575 1 6 . 1 1 31 31 ALA CA C 31 51.265 51.265 54.389 -3.124 19821 1576 1 6 . 1 1 31 31 ALA H H 31 7.384 7.384 8.313 -0.929 19821 1577 1 6 . 1 1 32 32 LYS N N 32 121.107 121.107 114.973 6.134 19821 1578 1 6 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.885 0.174 19821 1579 1 6 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.676 -1.393 19821 1580 1 6 . 1 1 32 32 LYS H H 32 8.194 8.194 7.843 0.351 19821 1581 1 6 . 1 1 33 33 ARG N N 33 126.754 126.754 119.337 7.417 19821 1582 1 6 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.531 -0.262 19821 1583 1 6 . 1 1 33 33 ARG CA C 33 61.002 61.002 54.942 6.060 19821 1584 1 6 . 1 1 33 33 ARG H H 33 8.690 8.690 7.778 0.912 19821 1585 1 6 . 1 1 34 34 GLU N N 34 117.537 117.537 122.523 -4.986 19821 1586 1 6 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.342 -0.485 19821 1587 1 6 . 1 1 34 34 GLU CA C 34 60.619 60.619 56.858 3.761 19821 1588 1 6 . 1 1 34 34 GLU H H 34 9.236 9.236 8.789 0.447 19821 1589 1 6 . 1 1 35 35 VAL N N 35 121.054 121.054 125.789 -4.735 19821 1590 1 6 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.679 -0.005 19821 1591 1 6 . 1 1 35 35 VAL CA C 35 65.064 65.064 65.851 -0.787 19821 1592 1 6 . 1 1 35 35 VAL H H 35 6.681 6.681 9.163 -2.482 19821 1593 1 6 . 1 1 36 36 LEU N N 36 126.417 126.417 120.955 5.462 19821 1594 1 6 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.094 -0.475 19821 1595 1 6 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.592 1.200 19821 1596 1 6 . 1 1 36 36 LEU H H 36 8.140 8.140 8.397 -0.257 19821 1597 1 6 . 1 1 37 37 LEU N N 37 120.272 120.272 120.846 -0.574 19821 1598 1 6 . 1 1 37 37 LEU HA H 37 3.766 3.766 3.928 -0.162 19821 1599 1 6 . 1 1 37 37 LEU CA C 37 58.911 58.911 58.112 0.799 19821 1600 1 6 . 1 1 37 37 LEU H H 37 8.492 8.492 7.675 0.817 19821 1601 1 6 . 1 1 38 38 VAL N N 38 122.614 122.614 118.633 3.981 19821 1602 1 6 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.708 -0.107 19821 1603 1 6 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.088 1.828 19821 1604 1 6 . 1 1 38 38 VAL H H 38 7.508 7.508 8.086 -0.578 19821 1605 1 6 . 1 1 39 39 THR N N 39 120.141 120.141 113.392 6.749 19821 1606 1 6 . 1 1 39 39 THR HA H 39 3.678 3.678 3.965 -0.287 19821 1607 1 6 . 1 1 39 39 THR CA C 39 67.812 67.812 65.332 2.480 19821 1608 1 6 . 1 1 39 39 THR H H 39 7.626 7.626 8.121 -0.495 19821 1609 1 6 . 1 1 40 40 LEU N N 40 123.404 123.404 119.127 4.277 19821 1610 1 6 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.741 -0.112 19821 1611 1 6 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.189 -0.756 19821 1612 1 6 . 1 1 40 40 LEU H H 40 8.644 8.644 7.395 1.249 19821 1613 1 6 . 1 1 41 41 THR N N 41 119.278 119.278 116.239 3.039 19821 1614 1 6 . 1 1 41 41 THR HA H 41 3.839 3.839 4.043 -0.204 19821 1615 1 6 . 1 1 41 41 THR CA C 41 67.573 67.573 67.438 0.135 19821 1616 1 6 . 1 1 41 41 THR H H 41 8.169 8.169 7.457 0.713 19821 1617 1 6 . 1 1 42 42 ARG N N 42 124.625 124.625 120.915 3.710 19821 1618 1 6 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.879 0.125 19821 1619 1 6 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.463 0.404 19821 1620 1 6 . 1 1 42 42 ARG H H 42 7.748 7.748 8.712 -0.964 19821 1621 1 6 . 1 1 43 43 LEU N N 43 120.115 120.115 122.109 -1.994 19821 1622 1 6 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.148 -0.254 19821 1623 1 6 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.338 -2.203 19821 1624 1 6 . 1 1 43 43 LEU H H 43 7.963 7.963 8.459 -0.496 19821 1625 1 6 . 1 1 44 44 HIS N N 44 123.297 123.297 120.887 2.410 19821 1626 1 6 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.345 0.062 19821 1627 1 6 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.568 0.120 19821 1628 1 6 . 1 1 44 44 HIS H H 44 8.454 8.454 7.955 0.499 19821 1629 1 6 . 1 1 45 45 GLN N N 45 124.648 124.648 118.009 6.639 19821 1630 1 6 . 1 1 45 45 GLN HA H 45 3.821 3.821 4.027 -0.206 19821 1631 1 6 . 1 1 45 45 GLN CA C 45 59.270 59.270 58.714 0.556 19821 1632 1 6 . 1 1 45 45 GLN H H 45 8.626 8.626 8.475 0.151 19821 1633 1 6 . 1 1 46 46 ARG N N 46 117.047 117.047 120.969 -3.922 19821 1634 1 6 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.456 -0.287 19821 1635 1 6 . 1 1 46 46 ARG CA C 46 56.641 56.641 59.323 -2.682 19821 1636 1 6 . 1 1 46 46 ARG H H 46 7.628 7.628 8.274 -0.646 19821 1637 1 6 . 1 1 47 47 GLY N N 47 109.401 109.401 107.172 2.229 19821 1638 1 6 . 1 1 47 47 GLY CA C 47 46.128 46.128 47.440 -1.312 19821 1639 1 6 . 1 1 47 47 GLY H H 47 7.763 7.763 8.311 -0.548 19821 1640 1 6 . 1 1 48 48 VAL N N 48 118.932 118.932 117.001 1.931 19821 1641 1 6 . 1 1 48 48 VAL HA H 48 3.801 3.801 3.983 -0.182 19821 1642 1 6 . 1 1 48 48 VAL CA C 48 64.168 64.168 63.202 0.966 19821 1643 1 6 . 1 1 48 48 VAL H H 48 7.787 7.787 7.663 0.124 19821 1644 1 6 . 1 1 49 49 ILE N N 49 110.494 110.494 116.871 -6.377 19821 1645 1 6 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.840 1.374 19821 1646 1 6 . 1 1 49 49 ILE CA C 49 58.075 58.075 61.330 -3.255 19821 1647 1 6 . 1 1 49 49 ILE H H 49 6.766 6.766 7.813 -1.047 19821 1648 1 6 . 1 1 50 50 TYR N N 50 120.330 120.330 117.389 2.941 19821 1649 1 6 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.495 0.389 19821 1650 1 6 . 1 1 50 50 TYR CA C 50 55.805 55.805 59.059 -3.254 19821 1651 1 6 . 1 1 50 50 TYR H H 50 9.025 9.025 8.315 0.710 19821 1652 1 6 . 1 1 51 51 ARG N N 51 120.608 120.608 117.369 3.239 19821 1653 1 6 . 1 1 51 51 ARG HA H 51 4.957 4.957 4.760 0.197 19821 1654 1 6 . 1 1 51 51 ARG CA C 51 53.834 53.834 54.834 -1.000 19821 1655 1 6 . 1 1 51 51 ARG H H 51 8.511 8.511 7.446 1.065 19821 1656 1 6 . 1 1 52 52 LYS N N 52 121.992 121.992 129.302 -7.310 19821 1657 1 6 . 1 1 52 52 LYS HA H 52 4.371 4.371 4.883 -0.512 19821 1658 1 6 . 1 1 52 52 LYS CA C 52 55.626 55.626 54.851 0.775 19821 1659 1 6 . 1 1 52 52 LYS H H 52 8.324 8.324 9.333 -1.009 19821 1660 1 6 . 1 1 53 53 TRP N N 53 121.803 121.803 126.051 -4.248 19821 1661 1 6 . 1 1 53 53 TRP HA H 53 4.996 4.996 5.397 -0.401 19821 1662 1 6 . 1 1 53 53 TRP CA C 53 56.462 56.462 54.513 1.949 19821 1663 1 6 . 1 1 53 53 TRP H H 53 8.457 8.457 7.945 0.512 19821 1664 1 6 . 1 1 54 54 ARG N N 54 127.059 127.059 120.175 6.884 19821 1665 1 6 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.527 -0.065 19821 1666 1 6 . 1 1 54 54 ARG CA C 54 55.088 55.088 54.385 0.703 19821 1667 1 6 . 1 1 54 54 ARG H H 54 9.555 9.555 8.235 1.320 19821 1668 1 6 . 1 1 55 55 HIS N N 55 127.930 127.930 119.029 8.901 19821 1669 1 6 . 1 1 55 55 HIS HA H 55 5.089 5.089 5.249 -0.160 19821 1670 1 6 . 1 1 55 55 HIS CA C 55 55.984 55.984 55.423 0.561 19821 1671 1 6 . 1 1 55 55 HIS H H 55 9.019 9.019 8.565 0.454 19821 1672 1 6 . 1 1 56 56 PHE N N 56 125.912 125.912 124.675 1.237 19821 1673 1 6 . 1 1 56 56 PHE HA H 56 4.627 4.627 5.117 -0.490 19821 1674 1 6 . 1 1 56 56 PHE CA C 56 58.195 58.195 56.645 1.550 19821 1675 1 6 . 1 1 56 56 PHE H H 56 8.707 8.707 9.111 -0.404 19821 1676 1 6 . 1 1 57 57 SER N N 57 124.434 124.434 123.994 0.440 19821 1677 1 6 . 1 1 57 57 SER HA H 57 3.727 3.727 4.849 -1.122 19821 1678 1 6 . 1 1 57 57 SER CA C 57 58.433 58.433 58.652 -0.219 19821 1679 1 6 . 1 1 57 57 SER H H 57 8.829 8.829 9.021 -0.192 19821 1680 1 6 . 1 1 58 58 GLY N N 58 108.465 108.465 111.431 -2.966 19821 1681 1 6 . 1 1 58 58 GLY CA C 58 45.769 45.769 44.354 1.415 19821 1682 1 6 . 1 1 58 58 GLY H H 58 8.456 8.456 8.518 -0.062 19821 1683 1 6 . 1 1 59 59 ARG N N 59 122.424 122.424 122.405 0.019 19821 1684 1 6 . 1 1 59 59 ARG HA H 59 4.381 4.381 4.103 0.278 19821 1685 1 6 . 1 1 59 59 ARG CA C 59 54.849 54.849 56.809 -1.960 19821 1686 1 6 . 1 1 59 59 ARG H H 59 7.803 7.803 9.394 -1.591 19821 1687 1 6 . 1 1 60 60 LYS N N 60 121.613 121.613 116.635 4.978 19821 1688 1 6 . 1 1 60 60 LYS HA H 60 5.041 5.041 4.051 0.990 19821 1689 1 6 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.205 -1.083 19821 1690 1 6 . 1 1 60 60 LYS H H 60 7.912 7.912 8.599 -0.687 19821 1691 1 6 . 1 1 61 61 TYR N N 61 122.435 122.435 119.411 3.024 19821 1692 1 6 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.549 0.353 19821 1693 1 6 . 1 1 61 61 TYR CA C 61 56.522 56.522 55.521 1.001 19821 1694 1 6 . 1 1 61 61 TYR H H 61 8.883 8.883 7.432 1.451 19821 1695 1 6 . 1 1 62 62 ARG N N 62 127.580 127.580 121.525 6.055 19821 1696 1 6 . 1 1 62 62 ARG HA H 62 3.766 3.766 4.743 -0.977 19821 1697 1 6 . 1 1 62 62 ARG CA C 62 56.402 56.402 55.875 0.527 19821 1698 1 6 . 1 1 62 62 ARG H H 62 9.197 9.197 8.258 0.939 19821 1699 1 6 . 1 1 63 63 GLU N N 63 124.048 124.048 123.320 0.728 19821 1700 1 6 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.468 -0.042 19821 1701 1 6 . 1 1 63 63 GLU CA C 63 53.834 53.834 54.787 -0.953 19821 1702 1 6 . 1 1 63 63 GLU H H 63 8.525 8.525 9.202 -0.677 19821 1703 1 6 . 1 1 64 64 TYR N N 64 121.860 121.860 124.194 -2.334 19821 1704 1 6 . 1 1 64 64 TYR HA H 64 4.536 4.536 4.247 0.289 19821 1705 1 6 . 1 1 64 64 TYR CA C 64 57.358 57.358 56.988 0.370 19821 1706 1 6 . 1 1 64 64 TYR H H 64 8.578 8.578 8.562 0.016 19821 1707 1 6 . 1 1 65 65 CYS N N 65 119.180 119.180 124.447 -5.267 19821 1708 1 6 . 1 1 65 65 CYS HA H 65 4.756 4.756 4.509 0.247 19821 1709 1 6 . 1 1 65 65 CYS CA C 65 53.177 53.177 58.459 -5.282 19821 1710 1 6 . 1 1 65 65 CYS H H 65 8.313 8.313 8.320 -0.007 19821 1711 1 6 . 1 1 66 66 LEU N N 66 125.298 125.298 121.867 3.431 19821 1712 1 6 . 1 1 66 66 LEU HA H 66 4.151 4.151 4.812 -0.661 19821 1713 1 6 . 1 1 66 66 LEU CA C 66 55.805 55.805 53.708 2.097 19821 1714 1 6 . 1 1 66 66 LEU H H 66 8.917 8.917 9.049 -0.132 19821 1715 1 6 . 1 1 67 67 LYS N N 67 126.834 126.834 122.776 4.058 19821 1716 1 6 . 1 1 67 67 LYS HA H 67 4.169 4.169 5.179 -1.010 19821 1717 1 6 . 1 1 67 67 LYS CA C 67 57.478 57.478 53.151 4.327 19821 1718 1 6 . 1 1 67 67 LYS H H 67 7.966 7.966 9.332 -1.366 19821 1719 1 6 . 1 1 68 68 HIS N N 68 122.718 122.718 126.981 -4.263 19821 1720 1 6 . 1 1 68 68 HIS HA H 68 4.583 4.583 4.412 0.171 19821 1721 1 6 . 1 1 68 68 HIS CA C 68 55.566 55.566 56.950 -1.384 19821 1722 1 6 . 1 1 68 68 HIS H H 68 8.648 8.648 8.301 0.347 19821 1723 1 6 . 1 1 69 69 ARG N N 69 125.371 125.371 128.625 -3.254 19821 1724 1 6 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.328 -0.235 19821 1725 1 6 . 1 1 69 69 ARG CA C 69 56.940 56.940 55.924 1.016 19821 1726 1 6 . 1 1 69 69 ARG H H 69 8.334 8.334 8.404 -0.070 19821 1727 1 6 . 1 1 70 70 ASP N N 70 123.332 123.332 124.152 -0.820 19821 1728 1 6 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.864 -0.437 19821 1729 1 6 . 1 1 70 70 ASP CA C 70 54.908 54.908 53.112 1.796 19821 1730 1 6 . 1 1 70 70 ASP H H 70 8.400 8.400 8.491 -0.091 19821 1731 1 6 . 1 1 71 71 GLU N N 71 123.365 123.365 121.188 2.177 19821 1732 1 6 . 1 1 71 71 GLU HA H 71 4.077 4.077 4.348 -0.271 19821 1733 1 6 . 1 1 71 71 GLU CA C 71 57.484 57.484 56.434 1.050 19821 1734 1 6 . 1 1 71 71 GLU H H 71 8.300 8.300 8.816 -0.516 19821 1735 1 6 . 1 1 72 72 LEU N N 72 123.444 123.444 126.183 -2.739 19821 1736 1 6 . 1 1 72 72 LEU HA H 72 4.114 4.114 4.016 0.098 19821 1737 1 6 . 1 1 72 72 LEU CA C 72 55.865 55.865 58.555 -2.690 19821 1738 1 6 . 1 1 72 72 LEU H H 72 8.038 8.038 8.742 -0.704 19821 1739 1 6 . 1 1 73 73 ALA N N 73 125.204 125.204 122.133 3.071 19821 1740 1 6 . 1 1 73 73 ALA HA H 73 4.041 4.041 4.075 -0.034 19821 1741 1 6 . 1 1 73 73 ALA CA C 73 53.475 53.475 55.007 -1.532 19821 1742 1 6 . 1 1 73 73 ALA H H 73 7.890 7.890 8.362 -0.472 19821 1743 1 6 . 1 1 74 74 ASP N N 74 120.369 120.369 119.101 1.268 19821 1744 1 6 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.319 0.088 19821 1745 1 6 . 1 1 74 74 ASP CA C 74 54.790 54.790 56.334 -1.544 19821 1746 1 6 . 1 1 74 74 ASP H H 74 7.980 7.980 8.023 -0.043 19821 1747 1 6 . 1 1 75 75 LEU N N 75 123.629 123.629 120.634 2.995 19821 1748 1 6 . 1 1 75 75 LEU HA H 75 3.978 3.978 4.042 -0.064 19821 1749 1 6 . 1 1 75 75 LEU CA C 75 56.343 56.343 57.762 -1.419 19821 1750 1 6 . 1 1 75 75 LEU H H 75 7.902 7.902 8.771 -0.869 19821 1751 1 6 . 1 1 76 76 GLU N N 76 120.501 120.501 118.981 1.520 19821 1752 1 6 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.202 -0.253 19821 1753 1 6 . 1 1 76 76 GLU CA C 76 57.239 57.239 59.230 -1.992 19821 1754 1 6 . 1 1 76 76 GLU H H 76 7.994 7.994 7.785 0.209 19821 1755 1 6 . 1 1 77 77 HIS N N 77 119.010 119.010 118.036 0.974 19821 1756 1 6 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.337 0.062 19821 1757 1 6 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.511 -2.467 19821 1758 1 6 . 1 1 77 77 HIS H H 77 7.959 7.959 7.862 0.097 19821 1759 1 7 . 1 1 4 4 LEU N N 4 125.414 125.414 121.969 3.445 19821 1760 1 7 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.154 0.198 19821 1761 1 7 . 1 1 4 4 LEU CA C 4 54.670 54.670 56.849 -2.179 19821 1762 1 7 . 1 1 4 4 LEU H H 4 7.844 7.844 8.204 -0.360 19821 1763 1 7 . 1 1 5 5 SER N N 5 120.078 120.078 111.809 8.269 19821 1764 1 7 . 1 1 5 5 SER HA H 5 4.279 4.279 4.247 0.032 19821 1765 1 7 . 1 1 5 5 SER CA C 5 57.119 57.119 58.714 -1.595 19821 1766 1 7 . 1 1 5 5 SER H H 5 8.615 8.615 8.021 0.594 19821 1767 1 7 . 1 1 6 6 LEU N N 6 124.468 124.468 119.551 4.917 19821 1768 1 7 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.481 -0.558 19821 1769 1 7 . 1 1 6 6 LEU CA C 6 58.493 58.493 53.985 4.508 19821 1770 1 7 . 1 1 6 6 LEU H H 6 8.719 8.719 7.425 1.294 19821 1771 1 7 . 1 1 7 7 THR N N 7 115.018 115.018 114.170 0.848 19821 1772 1 7 . 1 1 7 7 THR HA H 7 3.344 3.344 4.335 -0.991 19821 1773 1 7 . 1 1 7 7 THR CA C 7 68.469 68.469 61.527 6.942 19821 1774 1 7 . 1 1 7 7 THR H H 7 7.986 7.986 8.804 -0.818 19821 1775 1 7 . 1 1 8 8 GLN N N 8 120.628 120.628 121.423 -0.795 19821 1776 1 7 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.124 -0.395 19821 1777 1 7 . 1 1 8 8 GLN CA C 8 59.628 59.628 59.612 0.016 19821 1778 1 7 . 1 1 8 8 GLN H H 8 7.398 7.398 8.850 -1.452 19821 1779 1 7 . 1 1 9 9 LEU N N 9 121.103 121.103 120.737 0.366 19821 1780 1 7 . 1 1 9 9 LEU HA H 9 3.959 3.959 3.904 0.055 19821 1781 1 7 . 1 1 9 9 LEU CA C 9 58.553 58.553 60.132 -1.579 19821 1782 1 7 . 1 1 9 9 LEU H H 9 8.324 8.324 8.125 0.199 19821 1783 1 7 . 1 1 10 10 ILE N N 10 119.788 119.788 121.948 -2.160 19821 1784 1 7 . 1 1 10 10 ILE HA H 10 3.226 3.226 3.848 -0.622 19821 1785 1 7 . 1 1 10 10 ILE CA C 10 66.319 66.319 64.771 1.548 19821 1786 1 7 . 1 1 10 10 ILE H H 10 8.149 8.149 7.714 0.435 19821 1787 1 7 . 1 1 11 11 LEU N N 11 119.842 119.842 120.509 -0.667 19821 1788 1 7 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.162 -0.470 19821 1789 1 7 . 1 1 11 11 LEU CA C 11 58.911 58.911 58.063 0.848 19821 1790 1 7 . 1 1 11 11 LEU H H 11 7.847 7.847 8.272 -0.425 19821 1791 1 7 . 1 1 12 12 ILE N N 12 123.069 123.069 119.787 3.282 19821 1792 1 7 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.558 -0.039 19821 1793 1 7 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.681 -0.438 19821 1794 1 7 . 1 1 12 12 ILE H H 12 8.323 8.323 8.103 0.220 19821 1795 1 7 . 1 1 13 13 ARG N N 13 124.216 124.216 119.224 4.992 19821 1796 1 7 . 1 1 13 13 ARG HA H 13 3.619 3.619 3.900 -0.281 19821 1797 1 7 . 1 1 13 13 ARG CA C 13 57.717 57.717 59.284 -1.567 19821 1798 1 7 . 1 1 13 13 ARG H H 13 7.796 7.796 7.945 -0.149 19821 1799 1 7 . 1 1 14 14 LEU N N 14 118.657 118.657 120.317 -1.660 19821 1800 1 7 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.883 0.488 19821 1801 1 7 . 1 1 14 14 LEU CA C 14 56.641 56.641 58.593 -1.952 19821 1802 1 7 . 1 1 14 14 LEU H H 14 8.450 8.450 8.249 0.201 19821 1803 1 7 . 1 1 15 15 SER N N 15 116.873 116.873 115.021 1.852 19821 1804 1 7 . 1 1 15 15 SER HA H 15 3.949 3.949 3.846 0.103 19821 1805 1 7 . 1 1 15 15 SER CA C 15 61.540 61.540 60.275 1.265 19821 1806 1 7 . 1 1 15 15 SER H H 15 7.864 7.864 7.713 0.151 19821 1807 1 7 . 1 1 16 16 ASN N N 16 118.994 118.994 114.111 4.883 19821 1808 1 7 . 1 1 16 16 ASN HA H 16 4.491 4.491 4.504 -0.013 19821 1809 1 7 . 1 1 16 16 ASN CA C 16 55.626 55.626 54.892 0.735 19821 1810 1 7 . 1 1 16 16 ASN H H 16 7.804 7.804 8.106 -0.302 19821 1811 1 7 . 1 1 17 17 ARG N N 17 117.557 117.557 117.411 0.146 19821 1812 1 7 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.230 0.067 19821 1813 1 7 . 1 1 17 17 ARG CA C 17 54.610 54.610 57.804 -3.194 19821 1814 1 7 . 1 1 17 17 ARG H H 17 8.343 8.343 7.845 0.498 19821 1815 1 7 . 1 1 18 18 GLY N N 18 110.623 110.623 108.284 2.339 19821 1816 1 7 . 1 1 18 18 GLY CA C 18 44.455 44.455 46.157 -1.702 19821 1817 1 7 . 1 1 18 18 GLY H H 18 7.303 7.303 7.774 -0.471 19821 1818 1 7 . 1 1 19 19 CYS N N 19 117.667 117.667 117.150 0.517 19821 1819 1 7 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.754 0.148 19821 1820 1 7 . 1 1 19 19 CYS CA C 19 58.254 58.254 57.388 0.866 19821 1821 1 7 . 1 1 19 19 CYS H H 19 7.950 7.950 7.259 0.691 19821 1822 1 7 . 1 1 20 20 GLN N N 20 121.882 121.882 118.665 3.217 19821 1823 1 7 . 1 1 20 20 GLN HA H 20 5.104 5.104 4.259 0.845 19821 1824 1 7 . 1 1 20 20 GLN CA C 20 53.714 53.714 56.577 -2.863 19821 1825 1 7 . 1 1 20 20 GLN H H 20 8.615 8.615 8.533 0.082 19821 1826 1 7 . 1 1 21 21 THR N N 21 116.183 116.183 113.231 2.952 19821 1827 1 7 . 1 1 21 21 THR HA H 21 4.847 4.847 4.980 -0.133 19821 1828 1 7 . 1 1 21 21 THR CA C 21 60.763 60.763 61.007 -0.244 19821 1829 1 7 . 1 1 21 21 THR H H 21 9.557 9.557 7.723 1.834 19821 1830 1 7 . 1 1 22 22 LEU N N 22 123.325 123.325 126.953 -3.628 19821 1831 1 7 . 1 1 22 22 LEU HA H 22 3.777 3.777 5.315 -1.538 19821 1832 1 7 . 1 1 22 22 LEU CA C 22 59.270 59.270 52.398 6.872 19821 1833 1 7 . 1 1 22 22 LEU H H 22 9.257 9.257 8.630 0.627 19821 1834 1 7 . 1 1 23 23 GLU N N 23 120.097 120.097 117.952 2.145 19821 1835 1 7 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.938 -1.015 19821 1836 1 7 . 1 1 23 23 GLU CA C 23 61.241 61.241 54.505 6.736 19821 1837 1 7 . 1 1 23 23 GLU H H 23 9.030 9.030 9.349 -0.319 19821 1838 1 7 . 1 1 24 24 GLU N N 24 122.438 122.438 121.871 0.567 19821 1839 1 7 . 1 1 24 24 GLU HA H 24 3.912 3.912 4.005 -0.093 19821 1840 1 7 . 1 1 24 24 GLU CA C 24 59.270 59.270 60.360 -1.090 19821 1841 1 7 . 1 1 24 24 GLU H H 24 7.734 7.734 9.162 -1.428 19821 1842 1 7 . 1 1 25 25 LEU N N 25 123.263 123.263 118.889 4.374 19821 1843 1 7 . 1 1 25 25 LEU HA H 25 4.132 4.132 4.039 0.093 19821 1844 1 7 . 1 1 25 25 LEU CA C 25 58.314 58.314 58.011 0.303 19821 1845 1 7 . 1 1 25 25 LEU H H 25 8.350 8.350 8.421 -0.071 19821 1846 1 7 . 1 1 26 26 GLU N N 26 129.504 129.504 120.229 9.275 19821 1847 1 7 . 1 1 26 26 GLU HA H 26 3.601 3.601 4.129 -0.528 19821 1848 1 7 . 1 1 26 26 GLU CA C 26 60.942 60.942 59.163 1.779 19821 1849 1 7 . 1 1 26 26 GLU H H 26 9.362 9.362 7.999 1.363 19821 1850 1 7 . 1 1 27 27 GLU N N 27 121.392 121.392 118.241 3.151 19821 1851 1 7 . 1 1 27 27 GLU HA H 27 3.857 3.857 4.083 -0.226 19821 1852 1 7 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.316 0.073 19821 1853 1 7 . 1 1 27 27 GLU H H 27 7.741 7.741 8.494 -0.753 19821 1854 1 7 . 1 1 28 28 PHE N N 28 117.204 117.204 121.271 -4.067 19821 1855 1 7 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.197 0.100 19821 1856 1 7 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.279 -0.456 19821 1857 1 7 . 1 1 28 28 PHE H H 28 7.392 7.392 8.274 -0.882 19821 1858 1 7 . 1 1 29 29 THR N N 29 107.601 107.601 111.701 -4.100 19821 1859 1 7 . 1 1 29 29 THR HA H 29 3.472 3.472 4.127 -0.655 19821 1860 1 7 . 1 1 29 29 THR CA C 29 63.989 63.989 64.082 -0.093 19821 1861 1 7 . 1 1 29 29 THR H H 29 8.220 8.220 7.981 0.239 19821 1862 1 7 . 1 1 30 30 GLN N N 30 116.862 116.862 117.968 -1.106 19821 1863 1 7 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.202 -0.473 19821 1864 1 7 . 1 1 30 30 GLN CA C 30 57.478 57.478 58.062 -0.584 19821 1865 1 7 . 1 1 30 30 GLN H H 30 7.974 7.974 7.607 0.367 19821 1866 1 7 . 1 1 31 31 ALA N N 31 122.778 122.778 117.233 5.545 19821 1867 1 7 . 1 1 31 31 ALA HA H 31 4.213 4.213 4.003 0.210 19821 1868 1 7 . 1 1 31 31 ALA CA C 31 51.265 51.265 53.861 -2.596 19821 1869 1 7 . 1 1 31 31 ALA H H 31 7.384 7.384 8.198 -0.814 19821 1870 1 7 . 1 1 32 32 LYS N N 32 121.107 121.107 114.364 6.743 19821 1871 1 7 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.878 0.181 19821 1872 1 7 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.623 -1.340 19821 1873 1 7 . 1 1 32 32 LYS H H 32 8.194 8.194 7.854 0.340 19821 1874 1 7 . 1 1 33 33 ARG N N 33 126.754 126.754 119.927 6.827 19821 1875 1 7 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.419 -0.150 19821 1876 1 7 . 1 1 33 33 ARG CA C 33 61.002 61.002 55.634 5.368 19821 1877 1 7 . 1 1 33 33 ARG H H 33 8.690 8.690 7.703 0.987 19821 1878 1 7 . 1 1 34 34 GLU N N 34 117.537 117.537 121.791 -4.254 19821 1879 1 7 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.173 -0.316 19821 1880 1 7 . 1 1 34 34 GLU CA C 34 60.619 60.619 56.939 3.680 19821 1881 1 7 . 1 1 34 34 GLU H H 34 9.236 9.236 8.663 0.573 19821 1882 1 7 . 1 1 35 35 VAL N N 35 121.054 121.054 126.663 -5.609 19821 1883 1 7 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.622 0.052 19821 1884 1 7 . 1 1 35 35 VAL CA C 35 65.064 65.064 66.598 -1.534 19821 1885 1 7 . 1 1 35 35 VAL H H 35 6.681 6.681 8.988 -2.307 19821 1886 1 7 . 1 1 36 36 LEU N N 36 126.417 126.417 119.306 7.111 19821 1887 1 7 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.083 -0.464 19821 1888 1 7 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.741 1.051 19821 1889 1 7 . 1 1 36 36 LEU H H 36 8.140 8.140 8.404 -0.264 19821 1890 1 7 . 1 1 37 37 LEU N N 37 120.272 120.272 116.729 3.543 19821 1891 1 7 . 1 1 37 37 LEU HA H 37 3.766 3.766 4.243 -0.477 19821 1892 1 7 . 1 1 37 37 LEU CA C 37 58.911 58.911 57.154 1.757 19821 1893 1 7 . 1 1 37 37 LEU H H 37 8.492 8.492 7.507 0.985 19821 1894 1 7 . 1 1 38 38 VAL N N 38 122.614 122.614 122.183 0.431 19821 1895 1 7 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.833 -0.232 19821 1896 1 7 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.642 1.274 19821 1897 1 7 . 1 1 38 38 VAL H H 38 7.508 7.508 8.131 -0.623 19821 1898 1 7 . 1 1 39 39 THR N N 39 120.141 120.141 112.480 7.661 19821 1899 1 7 . 1 1 39 39 THR HA H 39 3.678 3.678 3.978 -0.300 19821 1900 1 7 . 1 1 39 39 THR CA C 39 67.812 67.812 65.152 2.660 19821 1901 1 7 . 1 1 39 39 THR H H 39 7.626 7.626 8.083 -0.457 19821 1902 1 7 . 1 1 40 40 LEU N N 40 123.404 123.404 120.089 3.315 19821 1903 1 7 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.740 -0.111 19821 1904 1 7 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.548 -1.115 19821 1905 1 7 . 1 1 40 40 LEU H H 40 8.644 8.644 7.473 1.171 19821 1906 1 7 . 1 1 41 41 THR N N 41 119.278 119.278 116.730 2.548 19821 1907 1 7 . 1 1 41 41 THR HA H 41 3.839 3.839 3.998 -0.159 19821 1908 1 7 . 1 1 41 41 THR CA C 41 67.573 67.573 67.600 -0.027 19821 1909 1 7 . 1 1 41 41 THR H H 41 8.169 8.169 7.830 0.339 19821 1910 1 7 . 1 1 42 42 ARG N N 42 124.625 124.625 120.556 4.069 19821 1911 1 7 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.852 0.152 19821 1912 1 7 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.233 0.635 19821 1913 1 7 . 1 1 42 42 ARG H H 42 7.748 7.748 8.245 -0.497 19821 1914 1 7 . 1 1 43 43 LEU N N 43 120.115 120.115 122.484 -2.369 19821 1915 1 7 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.100 -0.206 19821 1916 1 7 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.370 -2.235 19821 1917 1 7 . 1 1 43 43 LEU H H 43 7.963 7.963 8.253 -0.290 19821 1918 1 7 . 1 1 44 44 HIS N N 44 123.297 123.297 120.750 2.547 19821 1919 1 7 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.312 0.095 19821 1920 1 7 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.482 0.206 19821 1921 1 7 . 1 1 44 44 HIS H H 44 8.454 8.454 8.055 0.399 19821 1922 1 7 . 1 1 45 45 GLN N N 45 124.648 124.648 118.193 6.455 19821 1923 1 7 . 1 1 45 45 GLN HA H 45 3.821 3.821 3.914 -0.093 19821 1924 1 7 . 1 1 45 45 GLN CA C 45 59.270 59.270 58.883 0.387 19821 1925 1 7 . 1 1 45 45 GLN H H 45 8.626 8.626 8.397 0.229 19821 1926 1 7 . 1 1 46 46 ARG N N 46 117.047 117.047 120.598 -3.551 19821 1927 1 7 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.252 -0.083 19821 1928 1 7 . 1 1 46 46 ARG CA C 46 56.641 56.641 58.979 -2.338 19821 1929 1 7 . 1 1 46 46 ARG H H 46 7.628 7.628 8.194 -0.566 19821 1930 1 7 . 1 1 47 47 GLY N N 47 109.401 109.401 106.977 2.424 19821 1931 1 7 . 1 1 47 47 GLY CA C 47 46.128 46.128 47.316 -1.188 19821 1932 1 7 . 1 1 47 47 GLY H H 47 7.763 7.763 8.157 -0.394 19821 1933 1 7 . 1 1 48 48 VAL N N 48 118.932 118.932 116.800 2.132 19821 1934 1 7 . 1 1 48 48 VAL HA H 48 3.801 3.801 3.978 -0.177 19821 1935 1 7 . 1 1 48 48 VAL CA C 48 64.168 64.168 63.095 1.073 19821 1936 1 7 . 1 1 48 48 VAL H H 48 7.787 7.787 7.668 0.119 19821 1937 1 7 . 1 1 49 49 ILE N N 49 110.494 110.494 117.032 -6.538 19821 1938 1 7 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.576 1.638 19821 1939 1 7 . 1 1 49 49 ILE CA C 49 58.075 58.075 61.301 -3.226 19821 1940 1 7 . 1 1 49 49 ILE H H 49 6.766 6.766 7.489 -0.723 19821 1941 1 7 . 1 1 50 50 TYR N N 50 120.330 120.330 118.604 1.726 19821 1942 1 7 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.481 0.403 19821 1943 1 7 . 1 1 50 50 TYR CA C 50 55.805 55.805 59.889 -4.084 19821 1944 1 7 . 1 1 50 50 TYR H H 50 9.025 9.025 8.242 0.783 19821 1945 1 7 . 1 1 51 51 ARG N N 51 120.608 120.608 112.252 8.356 19821 1946 1 7 . 1 1 51 51 ARG HA H 51 4.957 4.957 5.473 -0.516 19821 1947 1 7 . 1 1 51 51 ARG CA C 51 53.834 53.834 53.478 0.356 19821 1948 1 7 . 1 1 51 51 ARG H H 51 8.511 8.511 7.295 1.216 19821 1949 1 7 . 1 1 52 52 LYS N N 52 121.992 121.992 120.269 1.723 19821 1950 1 7 . 1 1 52 52 LYS HA H 52 4.371 4.371 4.954 -0.583 19821 1951 1 7 . 1 1 52 52 LYS CA C 52 55.626 55.626 54.956 0.670 19821 1952 1 7 . 1 1 52 52 LYS H H 52 8.324 8.324 9.036 -0.712 19821 1953 1 7 . 1 1 53 53 TRP N N 53 121.803 121.803 125.258 -3.455 19821 1954 1 7 . 1 1 53 53 TRP HA H 53 4.996 4.996 5.055 -0.059 19821 1955 1 7 . 1 1 53 53 TRP CA C 53 56.462 56.462 55.803 0.659 19821 1956 1 7 . 1 1 53 53 TRP H H 53 8.457 8.457 8.421 0.036 19821 1957 1 7 . 1 1 54 54 ARG N N 54 127.059 127.059 125.433 1.626 19821 1958 1 7 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.667 -0.205 19821 1959 1 7 . 1 1 54 54 ARG CA C 54 55.088 55.088 54.273 0.815 19821 1960 1 7 . 1 1 54 54 ARG H H 54 9.555 9.555 8.764 0.791 19821 1961 1 7 . 1 1 55 55 HIS N N 55 127.930 127.930 119.525 8.405 19821 1962 1 7 . 1 1 55 55 HIS HA H 55 5.089 5.089 5.548 -0.459 19821 1963 1 7 . 1 1 55 55 HIS CA C 55 55.984 55.984 54.993 0.991 19821 1964 1 7 . 1 1 55 55 HIS H H 55 9.019 9.019 8.746 0.273 19821 1965 1 7 . 1 1 56 56 PHE N N 56 125.912 125.912 124.277 1.635 19821 1966 1 7 . 1 1 56 56 PHE HA H 56 4.627 4.627 5.044 -0.417 19821 1967 1 7 . 1 1 56 56 PHE CA C 56 58.195 58.195 56.657 1.538 19821 1968 1 7 . 1 1 56 56 PHE H H 56 8.707 8.707 9.130 -0.423 19821 1969 1 7 . 1 1 57 57 SER N N 57 124.434 124.434 122.559 1.875 19821 1970 1 7 . 1 1 57 57 SER HA H 57 3.727 3.727 5.519 -1.792 19821 1971 1 7 . 1 1 57 57 SER CA C 57 58.433 58.433 57.413 1.020 19821 1972 1 7 . 1 1 57 57 SER H H 57 8.829 8.829 8.869 -0.040 19821 1973 1 7 . 1 1 58 58 GLY N N 58 108.465 108.465 114.092 -5.627 19821 1974 1 7 . 1 1 58 58 GLY CA C 58 45.769 45.769 45.388 0.381 19821 1975 1 7 . 1 1 58 58 GLY H H 58 8.456 8.456 9.207 -0.751 19821 1976 1 7 . 1 1 59 59 ARG N N 59 122.424 122.424 128.188 -5.764 19821 1977 1 7 . 1 1 59 59 ARG HA H 59 4.381 4.381 3.715 0.666 19821 1978 1 7 . 1 1 59 59 ARG CA C 59 54.849 54.849 56.325 -1.476 19821 1979 1 7 . 1 1 59 59 ARG H H 59 7.803 7.803 8.760 -0.957 19821 1980 1 7 . 1 1 60 60 LYS N N 60 121.613 121.613 115.521 6.092 19821 1981 1 7 . 1 1 60 60 LYS HA H 60 5.041 5.041 3.953 1.088 19821 1982 1 7 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.272 -1.150 19821 1983 1 7 . 1 1 60 60 LYS H H 60 7.912 7.912 8.398 -0.486 19821 1984 1 7 . 1 1 61 61 TYR N N 61 122.435 122.435 119.651 2.784 19821 1985 1 7 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.677 0.225 19821 1986 1 7 . 1 1 61 61 TYR CA C 61 56.522 56.522 56.535 -0.013 19821 1987 1 7 . 1 1 61 61 TYR H H 61 8.883 8.883 7.769 1.114 19821 1988 1 7 . 1 1 62 62 ARG N N 62 127.580 127.580 123.438 4.142 19821 1989 1 7 . 1 1 62 62 ARG HA H 62 3.766 3.766 4.878 -1.112 19821 1990 1 7 . 1 1 62 62 ARG CA C 62 56.402 56.402 55.678 0.724 19821 1991 1 7 . 1 1 62 62 ARG H H 62 9.197 9.197 8.472 0.725 19821 1992 1 7 . 1 1 63 63 GLU N N 63 124.048 124.048 125.007 -0.959 19821 1993 1 7 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.441 -0.015 19821 1994 1 7 . 1 1 63 63 GLU CA C 63 53.834 53.834 55.669 -1.835 19821 1995 1 7 . 1 1 63 63 GLU H H 63 8.525 8.525 9.511 -0.986 19821 1996 1 7 . 1 1 64 64 TYR N N 64 121.860 121.860 123.664 -1.804 19821 1997 1 7 . 1 1 64 64 TYR HA H 64 4.536 4.536 4.782 -0.246 19821 1998 1 7 . 1 1 64 64 TYR CA C 64 57.358 57.358 57.135 0.223 19821 1999 1 7 . 1 1 64 64 TYR H H 64 8.578 8.578 8.858 -0.280 19821 2000 1 7 . 1 1 65 65 CYS N N 65 119.180 119.180 122.055 -2.875 19821 2001 1 7 . 1 1 65 65 CYS HA H 65 4.756 4.756 4.738 0.018 19821 2002 1 7 . 1 1 65 65 CYS CA C 65 53.177 53.177 57.587 -4.410 19821 2003 1 7 . 1 1 65 65 CYS H H 65 8.313 8.313 8.384 -0.071 19821 2004 1 7 . 1 1 66 66 LEU N N 66 125.298 125.298 123.837 1.461 19821 2005 1 7 . 1 1 66 66 LEU HA H 66 4.151 4.151 4.964 -0.813 19821 2006 1 7 . 1 1 66 66 LEU CA C 66 55.805 55.805 53.632 2.173 19821 2007 1 7 . 1 1 66 66 LEU H H 66 8.917 8.917 9.089 -0.172 19821 2008 1 7 . 1 1 67 67 LYS N N 67 126.834 126.834 121.637 5.197 19821 2009 1 7 . 1 1 67 67 LYS HA H 67 4.169 4.169 4.655 -0.486 19821 2010 1 7 . 1 1 67 67 LYS CA C 67 57.478 57.478 54.653 2.825 19821 2011 1 7 . 1 1 67 67 LYS H H 67 7.966 7.966 9.206 -1.240 19821 2012 1 7 . 1 1 68 68 HIS N N 68 122.718 122.718 122.164 0.554 19821 2013 1 7 . 1 1 68 68 HIS HA H 68 4.583 4.583 4.844 -0.261 19821 2014 1 7 . 1 1 68 68 HIS CA C 68 55.566 55.566 55.785 -0.219 19821 2015 1 7 . 1 1 68 68 HIS H H 68 8.648 8.648 8.937 -0.289 19821 2016 1 7 . 1 1 69 69 ARG N N 69 125.371 125.371 124.778 0.593 19821 2017 1 7 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.610 -0.517 19821 2018 1 7 . 1 1 69 69 ARG CA C 69 56.940 56.940 54.742 2.198 19821 2019 1 7 . 1 1 69 69 ARG H H 69 8.334 8.334 8.677 -0.343 19821 2020 1 7 . 1 1 70 70 ASP N N 70 123.332 123.332 123.031 0.301 19821 2021 1 7 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.442 -0.015 19821 2022 1 7 . 1 1 70 70 ASP CA C 70 54.908 54.908 54.768 0.140 19821 2023 1 7 . 1 1 70 70 ASP H H 70 8.400 8.400 7.846 0.554 19821 2024 1 7 . 1 1 71 71 GLU N N 71 123.365 123.365 127.528 -4.163 19821 2025 1 7 . 1 1 71 71 GLU HA H 71 4.077 4.077 4.186 -0.109 19821 2026 1 7 . 1 1 71 71 GLU CA C 71 57.484 57.484 56.105 1.379 19821 2027 1 7 . 1 1 71 71 GLU H H 71 8.300 8.300 8.321 -0.021 19821 2028 1 7 . 1 1 72 72 LEU N N 72 123.444 123.444 125.602 -2.158 19821 2029 1 7 . 1 1 72 72 LEU HA H 72 4.114 4.114 4.025 0.089 19821 2030 1 7 . 1 1 72 72 LEU CA C 72 55.865 55.865 57.907 -2.042 19821 2031 1 7 . 1 1 72 72 LEU H H 72 8.038 8.038 8.509 -0.471 19821 2032 1 7 . 1 1 73 73 ALA N N 73 125.204 125.204 123.629 1.575 19821 2033 1 7 . 1 1 73 73 ALA HA H 73 4.041 4.041 3.957 0.084 19821 2034 1 7 . 1 1 73 73 ALA CA C 73 53.475 53.475 55.122 -1.647 19821 2035 1 7 . 1 1 73 73 ALA H H 73 7.890 7.890 8.223 -0.333 19821 2036 1 7 . 1 1 74 74 ASP N N 74 120.369 120.369 119.230 1.139 19821 2037 1 7 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.305 0.102 19821 2038 1 7 . 1 1 74 74 ASP CA C 74 54.790 54.790 56.460 -1.670 19821 2039 1 7 . 1 1 74 74 ASP H H 74 7.980 7.980 7.979 0.001 19821 2040 1 7 . 1 1 75 75 LEU N N 75 123.629 123.629 119.853 3.776 19821 2041 1 7 . 1 1 75 75 LEU HA H 75 3.978 3.978 3.810 0.168 19821 2042 1 7 . 1 1 75 75 LEU CA C 75 56.343 56.343 57.653 -1.310 19821 2043 1 7 . 1 1 75 75 LEU H H 75 7.902 7.902 7.997 -0.095 19821 2044 1 7 . 1 1 76 76 GLU N N 76 120.501 120.501 118.571 1.930 19821 2045 1 7 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.121 -0.172 19821 2046 1 7 . 1 1 76 76 GLU CA C 76 57.239 57.239 58.893 -1.654 19821 2047 1 7 . 1 1 76 76 GLU H H 76 7.994 7.994 7.742 0.252 19821 2048 1 7 . 1 1 77 77 HIS N N 77 119.010 119.010 117.981 1.029 19821 2049 1 7 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.302 0.097 19821 2050 1 7 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.530 -2.486 19821 2051 1 7 . 1 1 77 77 HIS H H 77 7.959 7.959 7.889 0.070 19821 2052 1 8 . 1 1 4 4 LEU N N 4 125.414 125.414 122.280 3.134 19821 2053 1 8 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.149 0.203 19821 2054 1 8 . 1 1 4 4 LEU CA C 4 54.670 54.670 56.925 -2.255 19821 2055 1 8 . 1 1 4 4 LEU H H 4 7.844 7.844 8.178 -0.334 19821 2056 1 8 . 1 1 5 5 SER N N 5 120.078 120.078 111.744 8.334 19821 2057 1 8 . 1 1 5 5 SER HA H 5 4.279 4.279 4.268 0.011 19821 2058 1 8 . 1 1 5 5 SER CA C 5 57.119 57.119 58.621 -1.502 19821 2059 1 8 . 1 1 5 5 SER H H 5 8.615 8.615 8.079 0.536 19821 2060 1 8 . 1 1 6 6 LEU N N 6 124.468 124.468 119.917 4.551 19821 2061 1 8 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.597 -0.674 19821 2062 1 8 . 1 1 6 6 LEU CA C 6 58.493 58.493 53.915 4.578 19821 2063 1 8 . 1 1 6 6 LEU H H 6 8.719 8.719 7.360 1.359 19821 2064 1 8 . 1 1 7 7 THR N N 7 115.018 115.018 114.759 0.259 19821 2065 1 8 . 1 1 7 7 THR HA H 7 3.344 3.344 4.360 -1.016 19821 2066 1 8 . 1 1 7 7 THR CA C 7 68.469 68.469 61.357 7.112 19821 2067 1 8 . 1 1 7 7 THR H H 7 7.986 7.986 8.822 -0.836 19821 2068 1 8 . 1 1 8 8 GLN N N 8 120.628 120.628 121.192 -0.564 19821 2069 1 8 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.134 -0.405 19821 2070 1 8 . 1 1 8 8 GLN CA C 8 59.628 59.628 59.630 -0.002 19821 2071 1 8 . 1 1 8 8 GLN H H 8 7.398 7.398 8.861 -1.463 19821 2072 1 8 . 1 1 9 9 LEU N N 9 121.103 121.103 120.955 0.148 19821 2073 1 8 . 1 1 9 9 LEU HA H 9 3.959 3.959 3.885 0.074 19821 2074 1 8 . 1 1 9 9 LEU CA C 9 58.553 58.553 60.100 -1.547 19821 2075 1 8 . 1 1 9 9 LEU H H 9 8.324 8.324 8.068 0.256 19821 2076 1 8 . 1 1 10 10 ILE N N 10 119.788 119.788 121.998 -2.210 19821 2077 1 8 . 1 1 10 10 ILE HA H 10 3.226 3.226 3.883 -0.657 19821 2078 1 8 . 1 1 10 10 ILE CA C 10 66.319 66.319 64.759 1.560 19821 2079 1 8 . 1 1 10 10 ILE H H 10 8.149 8.149 7.792 0.357 19821 2080 1 8 . 1 1 11 11 LEU N N 11 119.842 119.842 120.781 -0.939 19821 2081 1 8 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.148 -0.456 19821 2082 1 8 . 1 1 11 11 LEU CA C 11 58.911 58.911 58.203 0.708 19821 2083 1 8 . 1 1 11 11 LEU H H 11 7.847 7.847 8.420 -0.573 19821 2084 1 8 . 1 1 12 12 ILE N N 12 123.069 123.069 119.403 3.666 19821 2085 1 8 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.582 -0.063 19821 2086 1 8 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.722 -0.479 19821 2087 1 8 . 1 1 12 12 ILE H H 12 8.323 8.323 8.107 0.216 19821 2088 1 8 . 1 1 13 13 ARG N N 13 124.216 124.216 118.956 5.260 19821 2089 1 8 . 1 1 13 13 ARG HA H 13 3.619 3.619 3.986 -0.367 19821 2090 1 8 . 1 1 13 13 ARG CA C 13 57.717 57.717 59.129 -1.411 19821 2091 1 8 . 1 1 13 13 ARG H H 13 7.796 7.796 7.903 -0.107 19821 2092 1 8 . 1 1 14 14 LEU N N 14 118.657 118.657 120.482 -1.825 19821 2093 1 8 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.916 0.455 19821 2094 1 8 . 1 1 14 14 LEU CA C 14 56.641 56.641 58.433 -1.792 19821 2095 1 8 . 1 1 14 14 LEU H H 14 8.450 8.450 8.497 -0.047 19821 2096 1 8 . 1 1 15 15 SER N N 15 116.873 116.873 115.268 1.605 19821 2097 1 8 . 1 1 15 15 SER HA H 15 3.949 3.949 3.905 0.044 19821 2098 1 8 . 1 1 15 15 SER CA C 15 61.540 61.540 60.325 1.215 19821 2099 1 8 . 1 1 15 15 SER H H 15 7.864 7.864 7.712 0.152 19821 2100 1 8 . 1 1 16 16 ASN N N 16 118.994 118.994 115.959 3.035 19821 2101 1 8 . 1 1 16 16 ASN HA H 16 4.491 4.491 4.432 0.059 19821 2102 1 8 . 1 1 16 16 ASN CA C 16 55.626 55.626 55.702 -0.076 19821 2103 1 8 . 1 1 16 16 ASN H H 16 7.804 7.804 8.334 -0.530 19821 2104 1 8 . 1 1 17 17 ARG N N 17 117.557 117.557 117.429 0.128 19821 2105 1 8 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.153 0.144 19821 2106 1 8 . 1 1 17 17 ARG CA C 17 54.610 54.610 58.119 -3.509 19821 2107 1 8 . 1 1 17 17 ARG H H 17 8.343 8.343 8.228 0.115 19821 2108 1 8 . 1 1 18 18 GLY N N 18 110.623 110.623 109.919 0.704 19821 2109 1 8 . 1 1 18 18 GLY CA C 18 44.455 44.455 47.323 -2.868 19821 2110 1 8 . 1 1 18 18 GLY H H 18 7.303 7.303 7.289 0.014 19821 2111 1 8 . 1 1 19 19 CYS N N 19 117.667 117.667 115.502 2.165 19821 2112 1 8 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.762 0.140 19821 2113 1 8 . 1 1 19 19 CYS CA C 19 58.254 58.254 57.622 0.632 19821 2114 1 8 . 1 1 19 19 CYS H H 19 7.950 7.950 7.615 0.335 19821 2115 1 8 . 1 1 20 20 GLN N N 20 121.882 121.882 120.570 1.312 19821 2116 1 8 . 1 1 20 20 GLN HA H 20 5.104 5.104 3.932 1.172 19821 2117 1 8 . 1 1 20 20 GLN CA C 20 53.714 53.714 56.736 -3.022 19821 2118 1 8 . 1 1 20 20 GLN H H 20 8.615 8.615 8.614 0.001 19821 2119 1 8 . 1 1 21 21 THR N N 21 116.183 116.183 116.496 -0.313 19821 2120 1 8 . 1 1 21 21 THR HA H 21 4.847 4.847 5.143 -0.296 19821 2121 1 8 . 1 1 21 21 THR CA C 21 60.763 60.763 60.452 0.311 19821 2122 1 8 . 1 1 21 21 THR H H 21 9.557 9.557 7.959 1.598 19821 2123 1 8 . 1 1 22 22 LEU N N 22 123.325 123.325 126.329 -3.004 19821 2124 1 8 . 1 1 22 22 LEU HA H 22 3.777 3.777 4.985 -1.208 19821 2125 1 8 . 1 1 22 22 LEU CA C 22 59.270 59.270 53.016 6.255 19821 2126 1 8 . 1 1 22 22 LEU H H 22 9.257 9.257 9.076 0.181 19821 2127 1 8 . 1 1 23 23 GLU N N 23 120.097 120.097 118.909 1.188 19821 2128 1 8 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.554 -0.631 19821 2129 1 8 . 1 1 23 23 GLU CA C 23 61.241 61.241 55.779 5.462 19821 2130 1 8 . 1 1 23 23 GLU H H 23 9.030 9.030 9.466 -0.436 19821 2131 1 8 . 1 1 24 24 GLU N N 24 122.438 122.438 122.365 0.073 19821 2132 1 8 . 1 1 24 24 GLU HA H 24 3.912 3.912 4.146 -0.234 19821 2133 1 8 . 1 1 24 24 GLU CA C 24 59.270 59.270 60.138 -0.868 19821 2134 1 8 . 1 1 24 24 GLU H H 24 7.734 7.734 8.970 -1.236 19821 2135 1 8 . 1 1 25 25 LEU N N 25 123.263 123.263 120.349 2.914 19821 2136 1 8 . 1 1 25 25 LEU HA H 25 4.132 4.132 3.961 0.171 19821 2137 1 8 . 1 1 25 25 LEU CA C 25 58.314 58.314 57.950 0.363 19821 2138 1 8 . 1 1 25 25 LEU H H 25 8.350 8.350 8.546 -0.196 19821 2139 1 8 . 1 1 26 26 GLU N N 26 129.504 129.504 119.713 9.791 19821 2140 1 8 . 1 1 26 26 GLU HA H 26 3.601 3.601 4.074 -0.473 19821 2141 1 8 . 1 1 26 26 GLU CA C 26 60.942 60.942 59.238 1.704 19821 2142 1 8 . 1 1 26 26 GLU H H 26 9.362 9.362 7.752 1.610 19821 2143 1 8 . 1 1 27 27 GLU N N 27 121.392 121.392 118.308 3.084 19821 2144 1 8 . 1 1 27 27 GLU HA H 27 3.857 3.857 4.050 -0.193 19821 2145 1 8 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.542 -0.153 19821 2146 1 8 . 1 1 27 27 GLU H H 27 7.741 7.741 8.637 -0.896 19821 2147 1 8 . 1 1 28 28 PHE N N 28 117.204 117.204 120.929 -3.725 19821 2148 1 8 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.143 0.154 19821 2149 1 8 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.323 -0.500 19821 2150 1 8 . 1 1 28 28 PHE H H 28 7.392 7.392 8.353 -0.961 19821 2151 1 8 . 1 1 29 29 THR N N 29 107.601 107.601 112.848 -5.247 19821 2152 1 8 . 1 1 29 29 THR HA H 29 3.472 3.472 4.042 -0.570 19821 2153 1 8 . 1 1 29 29 THR CA C 29 63.989 63.989 64.402 -0.413 19821 2154 1 8 . 1 1 29 29 THR H H 29 8.220 8.220 7.851 0.369 19821 2155 1 8 . 1 1 30 30 GLN N N 30 116.862 116.862 118.167 -1.305 19821 2156 1 8 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.126 -0.397 19821 2157 1 8 . 1 1 30 30 GLN CA C 30 57.478 57.478 58.755 -1.277 19821 2158 1 8 . 1 1 30 30 GLN H H 30 7.974 7.974 8.156 -0.182 19821 2159 1 8 . 1 1 31 31 ALA N N 31 122.778 122.778 118.990 3.788 19821 2160 1 8 . 1 1 31 31 ALA HA H 31 4.213 4.213 3.955 0.258 19821 2161 1 8 . 1 1 31 31 ALA CA C 31 51.265 51.265 54.223 -2.958 19821 2162 1 8 . 1 1 31 31 ALA H H 31 7.384 7.384 7.936 -0.552 19821 2163 1 8 . 1 1 32 32 LYS N N 32 121.107 121.107 116.937 4.170 19821 2164 1 8 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.906 0.153 19821 2165 1 8 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.153 -0.870 19821 2166 1 8 . 1 1 32 32 LYS H H 32 8.194 8.194 7.996 0.198 19821 2167 1 8 . 1 1 33 33 ARG N N 33 126.754 126.754 118.762 7.992 19821 2168 1 8 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.376 -0.107 19821 2169 1 8 . 1 1 33 33 ARG CA C 33 61.002 61.002 56.070 4.932 19821 2170 1 8 . 1 1 33 33 ARG H H 33 8.690 8.690 7.662 1.028 19821 2171 1 8 . 1 1 34 34 GLU N N 34 117.537 117.537 122.502 -4.965 19821 2172 1 8 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.199 -0.342 19821 2173 1 8 . 1 1 34 34 GLU CA C 34 60.619 60.619 56.707 3.912 19821 2174 1 8 . 1 1 34 34 GLU H H 34 9.236 9.236 8.705 0.531 19821 2175 1 8 . 1 1 35 35 VAL N N 35 121.054 121.054 125.965 -4.911 19821 2176 1 8 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.739 -0.065 19821 2177 1 8 . 1 1 35 35 VAL CA C 35 65.064 65.064 66.009 -0.945 19821 2178 1 8 . 1 1 35 35 VAL H H 35 6.681 6.681 8.732 -2.051 19821 2179 1 8 . 1 1 36 36 LEU N N 36 126.417 126.417 119.984 6.433 19821 2180 1 8 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.118 -0.499 19821 2181 1 8 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.706 1.087 19821 2182 1 8 . 1 1 36 36 LEU H H 36 8.140 8.140 8.550 -0.410 19821 2183 1 8 . 1 1 37 37 LEU N N 37 120.272 120.272 114.528 5.744 19821 2184 1 8 . 1 1 37 37 LEU HA H 37 3.766 3.766 4.487 -0.721 19821 2185 1 8 . 1 1 37 37 LEU CA C 37 58.911 58.911 56.050 2.861 19821 2186 1 8 . 1 1 37 37 LEU H H 37 8.492 8.492 7.536 0.956 19821 2187 1 8 . 1 1 38 38 VAL N N 38 122.614 122.614 122.555 0.059 19821 2188 1 8 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.832 -0.231 19821 2189 1 8 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.989 0.927 19821 2190 1 8 . 1 1 38 38 VAL H H 38 7.508 7.508 8.235 -0.727 19821 2191 1 8 . 1 1 39 39 THR N N 39 120.141 120.141 111.778 8.363 19821 2192 1 8 . 1 1 39 39 THR HA H 39 3.678 3.678 4.018 -0.340 19821 2193 1 8 . 1 1 39 39 THR CA C 39 67.812 67.812 65.108 2.704 19821 2194 1 8 . 1 1 39 39 THR H H 39 7.626 7.626 7.425 0.201 19821 2195 1 8 . 1 1 40 40 LEU N N 40 123.404 123.404 119.589 3.815 19821 2196 1 8 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.768 -0.139 19821 2197 1 8 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.534 -1.101 19821 2198 1 8 . 1 1 40 40 LEU H H 40 8.644 8.644 7.932 0.712 19821 2199 1 8 . 1 1 41 41 THR N N 41 119.278 119.278 116.687 2.591 19821 2200 1 8 . 1 1 41 41 THR HA H 41 3.839 3.839 4.006 -0.167 19821 2201 1 8 . 1 1 41 41 THR CA C 41 67.573 67.573 67.559 0.014 19821 2202 1 8 . 1 1 41 41 THR H H 41 8.169 8.169 8.059 0.110 19821 2203 1 8 . 1 1 42 42 ARG N N 42 124.625 124.625 120.683 3.942 19821 2204 1 8 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.748 0.256 19821 2205 1 8 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.209 0.659 19821 2206 1 8 . 1 1 42 42 ARG H H 42 7.748 7.748 7.958 -0.210 19821 2207 1 8 . 1 1 43 43 LEU N N 43 120.115 120.115 122.195 -2.080 19821 2208 1 8 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.096 -0.202 19821 2209 1 8 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.314 -2.179 19821 2210 1 8 . 1 1 43 43 LEU H H 43 7.963 7.963 8.318 -0.355 19821 2211 1 8 . 1 1 44 44 HIS N N 44 123.297 123.297 120.556 2.741 19821 2212 1 8 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.336 0.071 19821 2213 1 8 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.651 0.037 19821 2214 1 8 . 1 1 44 44 HIS H H 44 8.454 8.454 8.144 0.310 19821 2215 1 8 . 1 1 45 45 GLN N N 45 124.648 124.648 117.850 6.798 19821 2216 1 8 . 1 1 45 45 GLN HA H 45 3.821 3.821 4.006 -0.185 19821 2217 1 8 . 1 1 45 45 GLN CA C 45 59.270 59.270 58.655 0.615 19821 2218 1 8 . 1 1 45 45 GLN H H 45 8.626 8.626 8.293 0.333 19821 2219 1 8 . 1 1 46 46 ARG N N 46 117.047 117.047 120.781 -3.734 19821 2220 1 8 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.597 -0.428 19821 2221 1 8 . 1 1 46 46 ARG CA C 46 56.641 56.641 59.221 -2.580 19821 2222 1 8 . 1 1 46 46 ARG H H 46 7.628 7.628 7.959 -0.331 19821 2223 1 8 . 1 1 47 47 GLY N N 47 109.401 109.401 106.987 2.414 19821 2224 1 8 . 1 1 47 47 GLY CA C 47 46.128 46.128 47.258 -1.130 19821 2225 1 8 . 1 1 47 47 GLY H H 47 7.763 7.763 8.266 -0.503 19821 2226 1 8 . 1 1 48 48 VAL N N 48 118.932 118.932 115.336 3.596 19821 2227 1 8 . 1 1 48 48 VAL HA H 48 3.801 3.801 4.162 -0.361 19821 2228 1 8 . 1 1 48 48 VAL CA C 48 64.168 64.168 61.708 2.460 19821 2229 1 8 . 1 1 48 48 VAL H H 48 7.787 7.787 7.792 -0.005 19821 2230 1 8 . 1 1 49 49 ILE N N 49 110.494 110.494 118.699 -8.205 19821 2231 1 8 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.809 1.405 19821 2232 1 8 . 1 1 49 49 ILE CA C 49 58.075 58.075 61.644 -3.569 19821 2233 1 8 . 1 1 49 49 ILE H H 49 6.766 6.766 7.394 -0.628 19821 2234 1 8 . 1 1 50 50 TYR N N 50 120.330 120.330 120.755 -0.425 19821 2235 1 8 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.450 0.434 19821 2236 1 8 . 1 1 50 50 TYR CA C 50 55.805 55.805 60.093 -4.287 19821 2237 1 8 . 1 1 50 50 TYR H H 50 9.025 9.025 8.366 0.659 19821 2238 1 8 . 1 1 51 51 ARG N N 51 120.608 120.608 112.596 8.012 19821 2239 1 8 . 1 1 51 51 ARG HA H 51 4.957 4.957 4.822 0.135 19821 2240 1 8 . 1 1 51 51 ARG CA C 51 53.834 53.834 53.669 0.165 19821 2241 1 8 . 1 1 51 51 ARG H H 51 8.511 8.511 7.696 0.815 19821 2242 1 8 . 1 1 52 52 LYS N N 52 121.992 121.992 123.218 -1.226 19821 2243 1 8 . 1 1 52 52 LYS HA H 52 4.371 4.371 4.852 -0.481 19821 2244 1 8 . 1 1 52 52 LYS CA C 52 55.626 55.626 54.432 1.194 19821 2245 1 8 . 1 1 52 52 LYS H H 52 8.324 8.324 9.066 -0.742 19821 2246 1 8 . 1 1 53 53 TRP N N 53 121.803 121.803 130.971 -9.168 19821 2247 1 8 . 1 1 53 53 TRP HA H 53 4.996 4.996 4.351 0.645 19821 2248 1 8 . 1 1 53 53 TRP CA C 53 56.462 56.462 56.982 -0.520 19821 2249 1 8 . 1 1 53 53 TRP H H 53 8.457 8.457 8.295 0.162 19821 2250 1 8 . 1 1 54 54 ARG N N 54 127.059 127.059 127.170 -0.111 19821 2251 1 8 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.430 0.032 19821 2252 1 8 . 1 1 54 54 ARG CA C 54 55.088 55.088 54.721 0.367 19821 2253 1 8 . 1 1 54 54 ARG H H 54 9.555 9.555 8.537 1.018 19821 2254 1 8 . 1 1 55 55 HIS N N 55 127.930 127.930 124.016 3.914 19821 2255 1 8 . 1 1 55 55 HIS HA H 55 5.089 5.089 4.677 0.412 19821 2256 1 8 . 1 1 55 55 HIS CA C 55 55.984 55.984 56.303 -0.319 19821 2257 1 8 . 1 1 55 55 HIS H H 55 9.019 9.019 8.644 0.375 19821 2258 1 8 . 1 1 56 56 PHE N N 56 125.912 125.912 121.696 4.216 19821 2259 1 8 . 1 1 56 56 PHE HA H 56 4.627 4.627 4.762 -0.135 19821 2260 1 8 . 1 1 56 56 PHE CA C 56 58.195 58.195 55.365 2.830 19821 2261 1 8 . 1 1 56 56 PHE H H 56 8.707 8.707 9.094 -0.387 19821 2262 1 8 . 1 1 57 57 SER N N 57 124.434 124.434 117.488 6.946 19821 2263 1 8 . 1 1 57 57 SER HA H 57 3.727 3.727 5.356 -1.629 19821 2264 1 8 . 1 1 57 57 SER CA C 57 58.433 58.433 57.151 1.282 19821 2265 1 8 . 1 1 57 57 SER H H 57 8.829 8.829 8.397 0.432 19821 2266 1 8 . 1 1 58 58 GLY N N 58 108.465 108.465 113.587 -5.122 19821 2267 1 8 . 1 1 58 58 GLY CA C 58 45.769 45.769 44.272 1.497 19821 2268 1 8 . 1 1 58 58 GLY H H 58 8.456 8.456 9.252 -0.796 19821 2269 1 8 . 1 1 59 59 ARG N N 59 122.424 122.424 125.068 -2.644 19821 2270 1 8 . 1 1 59 59 ARG HA H 59 4.381 4.381 4.004 0.377 19821 2271 1 8 . 1 1 59 59 ARG CA C 59 54.849 54.849 56.820 -1.971 19821 2272 1 8 . 1 1 59 59 ARG H H 59 7.803 7.803 9.543 -1.740 19821 2273 1 8 . 1 1 60 60 LYS N N 60 121.613 121.613 115.569 6.044 19821 2274 1 8 . 1 1 60 60 LYS HA H 60 5.041 5.041 4.008 1.033 19821 2275 1 8 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.134 -1.012 19821 2276 1 8 . 1 1 60 60 LYS H H 60 7.912 7.912 8.592 -0.680 19821 2277 1 8 . 1 1 61 61 TYR N N 61 122.435 122.435 121.405 1.030 19821 2278 1 8 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.729 0.173 19821 2279 1 8 . 1 1 61 61 TYR CA C 61 56.522 56.522 57.110 -0.588 19821 2280 1 8 . 1 1 61 61 TYR H H 61 8.883 8.883 7.983 0.900 19821 2281 1 8 . 1 1 62 62 ARG N N 62 127.580 127.580 122.801 4.779 19821 2282 1 8 . 1 1 62 62 ARG HA H 62 3.766 3.766 5.182 -1.416 19821 2283 1 8 . 1 1 62 62 ARG CA C 62 56.402 56.402 56.000 0.402 19821 2284 1 8 . 1 1 62 62 ARG H H 62 9.197 9.197 8.437 0.760 19821 2285 1 8 . 1 1 63 63 GLU N N 63 124.048 124.048 124.377 -0.329 19821 2286 1 8 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.653 -0.227 19821 2287 1 8 . 1 1 63 63 GLU CA C 63 53.834 53.834 55.023 -1.189 19821 2288 1 8 . 1 1 63 63 GLU H H 63 8.525 8.525 9.517 -0.992 19821 2289 1 8 . 1 1 64 64 TYR N N 64 121.860 121.860 122.423 -0.563 19821 2290 1 8 . 1 1 64 64 TYR HA H 64 4.536 4.536 4.051 0.485 19821 2291 1 8 . 1 1 64 64 TYR CA C 64 57.358 57.358 58.230 -0.872 19821 2292 1 8 . 1 1 64 64 TYR H H 64 8.578 8.578 8.993 -0.415 19821 2293 1 8 . 1 1 65 65 CYS N N 65 119.180 119.180 122.852 -3.672 19821 2294 1 8 . 1 1 65 65 CYS HA H 65 4.756 4.756 4.773 -0.017 19821 2295 1 8 . 1 1 65 65 CYS CA C 65 53.177 53.177 57.626 -4.449 19821 2296 1 8 . 1 1 65 65 CYS H H 65 8.313 8.313 8.328 -0.015 19821 2297 1 8 . 1 1 66 66 LEU N N 66 125.298 125.298 126.266 -0.968 19821 2298 1 8 . 1 1 66 66 LEU HA H 66 4.151 4.151 4.960 -0.809 19821 2299 1 8 . 1 1 66 66 LEU CA C 66 55.805 55.805 53.250 2.555 19821 2300 1 8 . 1 1 66 66 LEU H H 66 8.917 8.917 9.183 -0.266 19821 2301 1 8 . 1 1 67 67 LYS N N 67 126.834 126.834 124.142 2.692 19821 2302 1 8 . 1 1 67 67 LYS HA H 67 4.169 4.169 4.934 -0.765 19821 2303 1 8 . 1 1 67 67 LYS CA C 67 57.478 57.478 53.895 3.583 19821 2304 1 8 . 1 1 67 67 LYS H H 67 7.966 7.966 9.223 -1.257 19821 2305 1 8 . 1 1 68 68 HIS N N 68 122.718 122.718 127.410 -4.692 19821 2306 1 8 . 1 1 68 68 HIS HA H 68 4.583 4.583 4.902 -0.319 19821 2307 1 8 . 1 1 68 68 HIS CA C 68 55.566 55.566 57.328 -1.762 19821 2308 1 8 . 1 1 68 68 HIS H H 68 8.648 8.648 9.212 -0.564 19821 2309 1 8 . 1 1 69 69 ARG N N 69 125.371 125.371 120.530 4.841 19821 2310 1 8 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.037 0.056 19821 2311 1 8 . 1 1 69 69 ARG CA C 69 56.940 56.940 59.620 -2.680 19821 2312 1 8 . 1 1 69 69 ARG H H 69 8.334 8.334 7.954 0.380 19821 2313 1 8 . 1 1 70 70 ASP N N 70 123.332 123.332 118.575 4.757 19821 2314 1 8 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.345 0.082 19821 2315 1 8 . 1 1 70 70 ASP CA C 70 54.908 54.908 56.721 -1.813 19821 2316 1 8 . 1 1 70 70 ASP H H 70 8.400 8.400 7.898 0.502 19821 2317 1 8 . 1 1 71 71 GLU N N 71 123.365 123.365 116.749 6.616 19821 2318 1 8 . 1 1 71 71 GLU HA H 71 4.077 4.077 4.157 -0.080 19821 2319 1 8 . 1 1 71 71 GLU CA C 71 57.484 57.484 57.099 0.385 19821 2320 1 8 . 1 1 71 71 GLU H H 71 8.300 8.300 7.879 0.421 19821 2321 1 8 . 1 1 72 72 LEU N N 72 123.444 123.444 122.318 1.126 19821 2322 1 8 . 1 1 72 72 LEU HA H 72 4.114 4.114 4.209 -0.095 19821 2323 1 8 . 1 1 72 72 LEU CA C 72 55.865 55.865 57.921 -2.056 19821 2324 1 8 . 1 1 72 72 LEU H H 72 8.038 8.038 8.297 -0.259 19821 2325 1 8 . 1 1 73 73 ALA N N 73 125.204 125.204 123.389 1.815 19821 2326 1 8 . 1 1 73 73 ALA HA H 73 4.041 4.041 4.125 -0.084 19821 2327 1 8 . 1 1 73 73 ALA CA C 73 53.475 53.475 54.495 -1.020 19821 2328 1 8 . 1 1 73 73 ALA H H 73 7.890 7.890 7.744 0.146 19821 2329 1 8 . 1 1 74 74 ASP N N 74 120.369 120.369 118.581 1.788 19821 2330 1 8 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.303 0.104 19821 2331 1 8 . 1 1 74 74 ASP CA C 74 54.790 54.790 56.481 -1.692 19821 2332 1 8 . 1 1 74 74 ASP H H 74 7.980 7.980 8.258 -0.278 19821 2333 1 8 . 1 1 75 75 LEU N N 75 123.629 123.629 120.728 2.901 19821 2334 1 8 . 1 1 75 75 LEU HA H 75 3.978 3.978 4.010 -0.032 19821 2335 1 8 . 1 1 75 75 LEU CA C 75 56.343 56.343 57.472 -1.129 19821 2336 1 8 . 1 1 75 75 LEU H H 75 7.902 7.902 7.674 0.228 19821 2337 1 8 . 1 1 76 76 GLU N N 76 120.501 120.501 118.350 2.151 19821 2338 1 8 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.002 -0.053 19821 2339 1 8 . 1 1 76 76 GLU CA C 76 57.239 57.239 58.979 -1.740 19821 2340 1 8 . 1 1 76 76 GLU H H 76 7.994 7.994 7.509 0.485 19821 2341 1 8 . 1 1 77 77 HIS N N 77 119.010 119.010 117.609 1.401 19821 2342 1 8 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.361 0.038 19821 2343 1 8 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.164 -2.120 19821 2344 1 8 . 1 1 77 77 HIS H H 77 7.959 7.959 7.541 0.418 19821 2345 1 9 . 1 1 4 4 LEU N N 4 125.414 125.414 121.851 3.563 19821 2346 1 9 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.279 0.073 19821 2347 1 9 . 1 1 4 4 LEU CA C 4 54.670 54.670 56.509 -1.839 19821 2348 1 9 . 1 1 4 4 LEU H H 4 7.844 7.844 8.065 -0.221 19821 2349 1 9 . 1 1 5 5 SER N N 5 120.078 120.078 113.280 6.798 19821 2350 1 9 . 1 1 5 5 SER HA H 5 4.279 4.279 4.307 -0.028 19821 2351 1 9 . 1 1 5 5 SER CA C 5 57.119 57.119 58.583 -1.464 19821 2352 1 9 . 1 1 5 5 SER H H 5 8.615 8.615 8.045 0.570 19821 2353 1 9 . 1 1 6 6 LEU N N 6 124.468 124.468 119.518 4.950 19821 2354 1 9 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.462 -0.539 19821 2355 1 9 . 1 1 6 6 LEU CA C 6 58.493 58.493 53.893 4.600 19821 2356 1 9 . 1 1 6 6 LEU H H 6 8.719 8.719 7.320 1.399 19821 2357 1 9 . 1 1 7 7 THR N N 7 115.018 115.018 114.849 0.169 19821 2358 1 9 . 1 1 7 7 THR HA H 7 3.344 3.344 4.330 -0.986 19821 2359 1 9 . 1 1 7 7 THR CA C 7 68.469 68.469 61.380 7.089 19821 2360 1 9 . 1 1 7 7 THR H H 7 7.986 7.986 8.778 -0.792 19821 2361 1 9 . 1 1 8 8 GLN N N 8 120.628 120.628 119.787 0.841 19821 2362 1 9 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.174 -0.445 19821 2363 1 9 . 1 1 8 8 GLN CA C 8 59.628 59.628 59.012 0.616 19821 2364 1 9 . 1 1 8 8 GLN H H 8 7.398 7.398 8.826 -1.428 19821 2365 1 9 . 1 1 9 9 LEU N N 9 121.103 121.103 118.173 2.930 19821 2366 1 9 . 1 1 9 9 LEU HA H 9 3.959 3.959 4.083 -0.124 19821 2367 1 9 . 1 1 9 9 LEU CA C 9 58.553 58.553 58.005 0.548 19821 2368 1 9 . 1 1 9 9 LEU H H 9 8.324 8.324 7.577 0.747 19821 2369 1 9 . 1 1 10 10 ILE N N 10 119.788 119.788 122.820 -3.032 19821 2370 1 9 . 1 1 10 10 ILE HA H 10 3.226 3.226 3.910 -0.684 19821 2371 1 9 . 1 1 10 10 ILE CA C 10 66.319 66.319 64.672 1.647 19821 2372 1 9 . 1 1 10 10 ILE H H 10 8.149 8.149 8.245 -0.096 19821 2373 1 9 . 1 1 11 11 LEU N N 11 119.842 119.842 121.317 -1.475 19821 2374 1 9 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.026 -0.334 19821 2375 1 9 . 1 1 11 11 LEU CA C 11 58.911 58.911 57.868 1.043 19821 2376 1 9 . 1 1 11 11 LEU H H 11 7.847 7.847 8.305 -0.458 19821 2377 1 9 . 1 1 12 12 ILE N N 12 123.069 123.069 118.919 4.150 19821 2378 1 9 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.720 -0.201 19821 2379 1 9 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.364 -0.121 19821 2380 1 9 . 1 1 12 12 ILE H H 12 8.323 8.323 7.506 0.817 19821 2381 1 9 . 1 1 13 13 ARG N N 13 124.216 124.216 120.438 3.778 19821 2382 1 9 . 1 1 13 13 ARG HA H 13 3.619 3.619 4.060 -0.441 19821 2383 1 9 . 1 1 13 13 ARG CA C 13 57.717 57.717 59.682 -1.965 19821 2384 1 9 . 1 1 13 13 ARG H H 13 7.796 7.796 7.800 -0.004 19821 2385 1 9 . 1 1 14 14 LEU N N 14 118.657 118.657 119.268 -0.611 19821 2386 1 9 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.630 0.741 19821 2387 1 9 . 1 1 14 14 LEU CA C 14 56.641 56.641 58.866 -2.225 19821 2388 1 9 . 1 1 14 14 LEU H H 14 8.450 8.450 8.223 0.227 19821 2389 1 9 . 1 1 15 15 SER N N 15 116.873 116.873 113.928 2.945 19821 2390 1 9 . 1 1 15 15 SER HA H 15 3.949 3.949 4.035 -0.086 19821 2391 1 9 . 1 1 15 15 SER CA C 15 61.540 61.540 59.878 1.662 19821 2392 1 9 . 1 1 15 15 SER H H 15 7.864 7.864 7.985 -0.121 19821 2393 1 9 . 1 1 16 16 ASN N N 16 118.994 118.994 118.524 0.470 19821 2394 1 9 . 1 1 16 16 ASN HA H 16 4.491 4.491 4.689 -0.198 19821 2395 1 9 . 1 1 16 16 ASN CA C 16 55.626 55.626 55.592 0.034 19821 2396 1 9 . 1 1 16 16 ASN H H 16 7.804 7.804 8.649 -0.845 19821 2397 1 9 . 1 1 17 17 ARG N N 17 117.557 117.557 119.527 -1.970 19821 2398 1 9 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.090 0.207 19821 2399 1 9 . 1 1 17 17 ARG CA C 17 54.610 54.610 59.245 -4.636 19821 2400 1 9 . 1 1 17 17 ARG H H 17 8.343 8.343 8.315 0.028 19821 2401 1 9 . 1 1 18 18 GLY N N 18 110.623 110.623 109.190 1.433 19821 2402 1 9 . 1 1 18 18 GLY CA C 18 44.455 44.455 47.450 -2.995 19821 2403 1 9 . 1 1 18 18 GLY H H 18 7.303 7.303 7.840 -0.537 19821 2404 1 9 . 1 1 19 19 CYS N N 19 117.667 117.667 115.936 1.731 19821 2405 1 9 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.682 0.220 19821 2406 1 9 . 1 1 19 19 CYS CA C 19 58.254 58.254 58.546 -0.292 19821 2407 1 9 . 1 1 19 19 CYS H H 19 7.950 7.950 7.525 0.425 19821 2408 1 9 . 1 1 20 20 GLN N N 20 121.882 121.882 120.252 1.630 19821 2409 1 9 . 1 1 20 20 GLN HA H 20 5.104 5.104 3.956 1.148 19821 2410 1 9 . 1 1 20 20 GLN CA C 20 53.714 53.714 56.827 -3.113 19821 2411 1 9 . 1 1 20 20 GLN H H 20 8.615 8.615 8.755 -0.140 19821 2412 1 9 . 1 1 21 21 THR N N 21 116.183 116.183 116.662 -0.479 19821 2413 1 9 . 1 1 21 21 THR HA H 21 4.847 4.847 4.887 -0.040 19821 2414 1 9 . 1 1 21 21 THR CA C 21 60.763 60.763 61.358 -0.595 19821 2415 1 9 . 1 1 21 21 THR H H 21 9.557 9.557 7.988 1.569 19821 2416 1 9 . 1 1 22 22 LEU N N 22 123.325 123.325 123.651 -0.326 19821 2417 1 9 . 1 1 22 22 LEU HA H 22 3.777 3.777 4.947 -1.170 19821 2418 1 9 . 1 1 22 22 LEU CA C 22 59.270 59.270 53.157 6.112 19821 2419 1 9 . 1 1 22 22 LEU H H 22 9.257 9.257 9.053 0.204 19821 2420 1 9 . 1 1 23 23 GLU N N 23 120.097 120.097 118.617 1.480 19821 2421 1 9 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.361 -0.438 19821 2422 1 9 . 1 1 23 23 GLU CA C 23 61.241 61.241 55.273 5.968 19821 2423 1 9 . 1 1 23 23 GLU H H 23 9.030 9.030 9.412 -0.382 19821 2424 1 9 . 1 1 24 24 GLU N N 24 122.438 122.438 121.129 1.309 19821 2425 1 9 . 1 1 24 24 GLU HA H 24 3.912 3.912 4.002 -0.090 19821 2426 1 9 . 1 1 24 24 GLU CA C 24 59.270 59.270 60.308 -1.038 19821 2427 1 9 . 1 1 24 24 GLU H H 24 7.734 7.734 8.363 -0.629 19821 2428 1 9 . 1 1 25 25 LEU N N 25 123.263 123.263 120.102 3.161 19821 2429 1 9 . 1 1 25 25 LEU HA H 25 4.132 4.132 3.966 0.166 19821 2430 1 9 . 1 1 25 25 LEU CA C 25 58.314 58.314 57.792 0.522 19821 2431 1 9 . 1 1 25 25 LEU H H 25 8.350 8.350 8.217 0.133 19821 2432 1 9 . 1 1 26 26 GLU N N 26 129.504 129.504 119.226 10.278 19821 2433 1 9 . 1 1 26 26 GLU HA H 26 3.601 3.601 3.867 -0.266 19821 2434 1 9 . 1 1 26 26 GLU CA C 26 60.942 60.942 58.734 2.208 19821 2435 1 9 . 1 1 26 26 GLU H H 26 9.362 9.362 7.483 1.879 19821 2436 1 9 . 1 1 27 27 GLU N N 27 121.392 121.392 118.301 3.091 19821 2437 1 9 . 1 1 27 27 GLU HA H 27 3.857 3.857 3.725 0.132 19821 2438 1 9 . 1 1 27 27 GLU CA C 27 59.389 59.389 58.891 0.499 19821 2439 1 9 . 1 1 27 27 GLU H H 27 7.741 7.741 8.260 -0.519 19821 2440 1 9 . 1 1 28 28 PHE N N 28 117.204 117.204 120.752 -3.548 19821 2441 1 9 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.147 0.150 19821 2442 1 9 . 1 1 28 28 PHE CA C 28 60.823 60.823 60.974 -0.150 19821 2443 1 9 . 1 1 28 28 PHE H H 28 7.392 7.392 8.254 -0.862 19821 2444 1 9 . 1 1 29 29 THR N N 29 107.601 107.601 112.939 -5.338 19821 2445 1 9 . 1 1 29 29 THR HA H 29 3.472 3.472 4.081 -0.609 19821 2446 1 9 . 1 1 29 29 THR CA C 29 63.989 63.989 64.553 -0.564 19821 2447 1 9 . 1 1 29 29 THR H H 29 8.220 8.220 7.751 0.469 19821 2448 1 9 . 1 1 30 30 GLN N N 30 116.862 116.862 115.893 0.969 19821 2449 1 9 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.177 -0.448 19821 2450 1 9 . 1 1 30 30 GLN CA C 30 57.478 57.478 57.154 0.324 19821 2451 1 9 . 1 1 30 30 GLN H H 30 7.974 7.974 7.413 0.561 19821 2452 1 9 . 1 1 31 31 ALA N N 31 122.778 122.778 114.609 8.169 19821 2453 1 9 . 1 1 31 31 ALA HA H 31 4.213 4.213 4.179 0.034 19821 2454 1 9 . 1 1 31 31 ALA CA C 31 51.265 51.265 53.074 -1.809 19821 2455 1 9 . 1 1 31 31 ALA H H 31 7.384 7.384 7.726 -0.342 19821 2456 1 9 . 1 1 32 32 LYS N N 32 121.107 121.107 117.537 3.570 19821 2457 1 9 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.965 0.094 19821 2458 1 9 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.701 -1.418 19821 2459 1 9 . 1 1 32 32 LYS H H 32 8.194 8.194 8.146 0.048 19821 2460 1 9 . 1 1 33 33 ARG N N 33 126.754 126.754 118.871 7.883 19821 2461 1 9 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.519 -0.250 19821 2462 1 9 . 1 1 33 33 ARG CA C 33 61.002 61.002 55.231 5.771 19821 2463 1 9 . 1 1 33 33 ARG H H 33 8.690 8.690 7.722 0.968 19821 2464 1 9 . 1 1 34 34 GLU N N 34 117.537 117.537 121.021 -3.484 19821 2465 1 9 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.142 -0.285 19821 2466 1 9 . 1 1 34 34 GLU CA C 34 60.619 60.619 57.142 3.477 19821 2467 1 9 . 1 1 34 34 GLU H H 34 9.236 9.236 8.676 0.560 19821 2468 1 9 . 1 1 35 35 VAL N N 35 121.054 121.054 126.332 -5.278 19821 2469 1 9 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.604 0.070 19821 2470 1 9 . 1 1 35 35 VAL CA C 35 65.064 65.064 66.624 -1.560 19821 2471 1 9 . 1 1 35 35 VAL H H 35 6.681 6.681 8.906 -2.225 19821 2472 1 9 . 1 1 36 36 LEU N N 36 126.417 126.417 120.225 6.192 19821 2473 1 9 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.108 -0.489 19821 2474 1 9 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.925 0.867 19821 2475 1 9 . 1 1 36 36 LEU H H 36 8.140 8.140 8.457 -0.317 19821 2476 1 9 . 1 1 37 37 LEU N N 37 120.272 120.272 120.322 -0.050 19821 2477 1 9 . 1 1 37 37 LEU HA H 37 3.766 3.766 3.919 -0.153 19821 2478 1 9 . 1 1 37 37 LEU CA C 37 58.911 58.911 57.903 1.008 19821 2479 1 9 . 1 1 37 37 LEU H H 37 8.492 8.492 7.856 0.636 19821 2480 1 9 . 1 1 38 38 VAL N N 38 122.614 122.614 120.389 2.225 19821 2481 1 9 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.693 -0.092 19821 2482 1 9 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.586 1.330 19821 2483 1 9 . 1 1 38 38 VAL H H 38 7.508 7.508 8.301 -0.793 19821 2484 1 9 . 1 1 39 39 THR N N 39 120.141 120.141 112.015 8.126 19821 2485 1 9 . 1 1 39 39 THR HA H 39 3.678 3.678 3.790 -0.112 19821 2486 1 9 . 1 1 39 39 THR CA C 39 67.812 67.812 65.332 2.480 19821 2487 1 9 . 1 1 39 39 THR H H 39 7.626 7.626 8.102 -0.476 19821 2488 1 9 . 1 1 40 40 LEU N N 40 123.404 123.404 121.362 2.042 19821 2489 1 9 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.757 -0.128 19821 2490 1 9 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.638 -1.205 19821 2491 1 9 . 1 1 40 40 LEU H H 40 8.644 8.644 8.042 0.602 19821 2492 1 9 . 1 1 41 41 THR N N 41 119.278 119.278 117.046 2.232 19821 2493 1 9 . 1 1 41 41 THR HA H 41 3.839 3.839 3.982 -0.143 19821 2494 1 9 . 1 1 41 41 THR CA C 41 67.573 67.573 67.391 0.182 19821 2495 1 9 . 1 1 41 41 THR H H 41 8.169 8.169 7.844 0.325 19821 2496 1 9 . 1 1 42 42 ARG N N 42 124.625 124.625 120.421 4.204 19821 2497 1 9 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.829 0.175 19821 2498 1 9 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.066 0.801 19821 2499 1 9 . 1 1 42 42 ARG H H 42 7.748 7.748 8.486 -0.738 19821 2500 1 9 . 1 1 43 43 LEU N N 43 120.115 120.115 122.756 -2.641 19821 2501 1 9 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.076 -0.182 19821 2502 1 9 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.494 -2.359 19821 2503 1 9 . 1 1 43 43 LEU H H 43 7.963 7.963 8.410 -0.447 19821 2504 1 9 . 1 1 44 44 HIS N N 44 123.297 123.297 120.759 2.538 19821 2505 1 9 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.346 0.061 19821 2506 1 9 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.402 0.286 19821 2507 1 9 . 1 1 44 44 HIS H H 44 8.454 8.454 7.857 0.597 19821 2508 1 9 . 1 1 45 45 GLN N N 45 124.648 124.648 118.373 6.275 19821 2509 1 9 . 1 1 45 45 GLN HA H 45 3.821 3.821 3.929 -0.108 19821 2510 1 9 . 1 1 45 45 GLN CA C 45 59.270 59.270 59.048 0.222 19821 2511 1 9 . 1 1 45 45 GLN H H 45 8.626 8.626 8.392 0.234 19821 2512 1 9 . 1 1 46 46 ARG N N 46 117.047 117.047 120.494 -3.447 19821 2513 1 9 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.423 -0.254 19821 2514 1 9 . 1 1 46 46 ARG CA C 46 56.641 56.641 59.165 -2.524 19821 2515 1 9 . 1 1 46 46 ARG H H 46 7.628 7.628 8.322 -0.694 19821 2516 1 9 . 1 1 47 47 GLY N N 47 109.401 109.401 107.094 2.307 19821 2517 1 9 . 1 1 47 47 GLY CA C 47 46.128 46.128 47.395 -1.267 19821 2518 1 9 . 1 1 47 47 GLY H H 47 7.763 7.763 8.319 -0.556 19821 2519 1 9 . 1 1 48 48 VAL N N 48 118.932 118.932 115.990 2.942 19821 2520 1 9 . 1 1 48 48 VAL HA H 48 3.801 3.801 4.031 -0.230 19821 2521 1 9 . 1 1 48 48 VAL CA C 48 64.168 64.168 62.588 1.580 19821 2522 1 9 . 1 1 48 48 VAL H H 48 7.787 7.787 7.676 0.111 19821 2523 1 9 . 1 1 49 49 ILE N N 49 110.494 110.494 117.846 -7.352 19821 2524 1 9 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.969 1.245 19821 2525 1 9 . 1 1 49 49 ILE CA C 49 58.075 58.075 61.357 -3.282 19821 2526 1 9 . 1 1 49 49 ILE H H 49 6.766 6.766 7.286 -0.520 19821 2527 1 9 . 1 1 50 50 TYR N N 50 120.330 120.330 118.086 2.244 19821 2528 1 9 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.541 0.343 19821 2529 1 9 . 1 1 50 50 TYR CA C 50 55.805 55.805 59.577 -3.772 19821 2530 1 9 . 1 1 50 50 TYR H H 50 9.025 9.025 8.241 0.784 19821 2531 1 9 . 1 1 51 51 ARG N N 51 120.608 120.608 112.515 8.093 19821 2532 1 9 . 1 1 51 51 ARG HA H 51 4.957 4.957 5.343 -0.386 19821 2533 1 9 . 1 1 51 51 ARG CA C 51 53.834 53.834 53.558 0.276 19821 2534 1 9 . 1 1 51 51 ARG H H 51 8.511 8.511 7.471 1.040 19821 2535 1 9 . 1 1 52 52 LYS N N 52 121.992 121.992 123.104 -1.112 19821 2536 1 9 . 1 1 52 52 LYS HA H 52 4.371 4.371 4.995 -0.624 19821 2537 1 9 . 1 1 52 52 LYS CA C 52 55.626 55.626 54.405 1.221 19821 2538 1 9 . 1 1 52 52 LYS H H 52 8.324 8.324 9.189 -0.865 19821 2539 1 9 . 1 1 53 53 TRP N N 53 121.803 121.803 129.537 -7.734 19821 2540 1 9 . 1 1 53 53 TRP HA H 53 4.996 4.996 4.550 0.446 19821 2541 1 9 . 1 1 53 53 TRP CA C 53 56.462 56.462 55.980 0.482 19821 2542 1 9 . 1 1 53 53 TRP H H 53 8.457 8.457 7.801 0.656 19821 2543 1 9 . 1 1 54 54 ARG N N 54 127.059 127.059 126.224 0.835 19821 2544 1 9 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.443 0.019 19821 2545 1 9 . 1 1 54 54 ARG CA C 54 55.088 55.088 54.344 0.744 19821 2546 1 9 . 1 1 54 54 ARG H H 54 9.555 9.555 8.407 1.148 19821 2547 1 9 . 1 1 55 55 HIS N N 55 127.930 127.930 117.173 10.757 19821 2548 1 9 . 1 1 55 55 HIS HA H 55 5.089 5.089 5.184 -0.095 19821 2549 1 9 . 1 1 55 55 HIS CA C 55 55.984 55.984 54.791 1.193 19821 2550 1 9 . 1 1 55 55 HIS H H 55 9.019 9.019 8.351 0.668 19821 2551 1 9 . 1 1 56 56 PHE N N 56 125.912 125.912 121.198 4.714 19821 2552 1 9 . 1 1 56 56 PHE HA H 56 4.627 4.627 4.799 -0.172 19821 2553 1 9 . 1 1 56 56 PHE CA C 56 58.195 58.195 56.475 1.720 19821 2554 1 9 . 1 1 56 56 PHE H H 56 8.707 8.707 8.937 -0.230 19821 2555 1 9 . 1 1 57 57 SER N N 57 124.434 124.434 117.427 7.007 19821 2556 1 9 . 1 1 57 57 SER HA H 57 3.727 3.727 5.404 -1.677 19821 2557 1 9 . 1 1 57 57 SER CA C 57 58.433 58.433 56.810 1.623 19821 2558 1 9 . 1 1 57 57 SER H H 57 8.829 8.829 8.433 0.396 19821 2559 1 9 . 1 1 58 58 GLY N N 58 108.465 108.465 113.721 -5.256 19821 2560 1 9 . 1 1 58 58 GLY CA C 58 45.769 45.769 44.166 1.603 19821 2561 1 9 . 1 1 58 58 GLY H H 58 8.456 8.456 8.948 -0.492 19821 2562 1 9 . 1 1 59 59 ARG N N 59 122.424 122.424 125.406 -2.982 19821 2563 1 9 . 1 1 59 59 ARG HA H 59 4.381 4.381 3.972 0.409 19821 2564 1 9 . 1 1 59 59 ARG CA C 59 54.849 54.849 56.717 -1.868 19821 2565 1 9 . 1 1 59 59 ARG H H 59 7.803 7.803 9.475 -1.672 19821 2566 1 9 . 1 1 60 60 LYS N N 60 121.613 121.613 115.548 6.065 19821 2567 1 9 . 1 1 60 60 LYS HA H 60 5.041 5.041 3.980 1.061 19821 2568 1 9 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.130 -1.008 19821 2569 1 9 . 1 1 60 60 LYS H H 60 7.912 7.912 8.604 -0.692 19821 2570 1 9 . 1 1 61 61 TYR N N 61 122.435 122.435 121.484 0.951 19821 2571 1 9 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.730 0.172 19821 2572 1 9 . 1 1 61 61 TYR CA C 61 56.522 56.522 57.398 -0.876 19821 2573 1 9 . 1 1 61 61 TYR H H 61 8.883 8.883 7.938 0.945 19821 2574 1 9 . 1 1 62 62 ARG N N 62 127.580 127.580 124.191 3.389 19821 2575 1 9 . 1 1 62 62 ARG HA H 62 3.766 3.766 5.133 -1.367 19821 2576 1 9 . 1 1 62 62 ARG CA C 62 56.402 56.402 56.103 0.299 19821 2577 1 9 . 1 1 62 62 ARG H H 62 9.197 9.197 8.642 0.555 19821 2578 1 9 . 1 1 63 63 GLU N N 63 124.048 124.048 126.858 -2.810 19821 2579 1 9 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.611 -0.185 19821 2580 1 9 . 1 1 63 63 GLU CA C 63 53.834 53.834 54.642 -0.808 19821 2581 1 9 . 1 1 63 63 GLU H H 63 8.525 8.525 9.486 -0.961 19821 2582 1 9 . 1 1 64 64 TYR N N 64 121.860 121.860 127.458 -5.598 19821 2583 1 9 . 1 1 64 64 TYR HA H 64 4.536 4.536 3.816 0.720 19821 2584 1 9 . 1 1 64 64 TYR CA C 64 57.358 57.358 57.852 -0.494 19821 2585 1 9 . 1 1 64 64 TYR H H 64 8.578 8.578 8.602 -0.024 19821 2586 1 9 . 1 1 65 65 CYS N N 65 119.180 119.180 121.687 -2.507 19821 2587 1 9 . 1 1 65 65 CYS HA H 65 4.756 4.756 4.510 0.246 19821 2588 1 9 . 1 1 65 65 CYS CA C 65 53.177 53.177 57.418 -4.241 19821 2589 1 9 . 1 1 65 65 CYS H H 65 8.313 8.313 8.125 0.188 19821 2590 1 9 . 1 1 66 66 LEU N N 66 125.298 125.298 124.224 1.074 19821 2591 1 9 . 1 1 66 66 LEU HA H 66 4.151 4.151 5.085 -0.934 19821 2592 1 9 . 1 1 66 66 LEU CA C 66 55.805 55.805 53.116 2.689 19821 2593 1 9 . 1 1 66 66 LEU H H 66 8.917 8.917 8.854 0.063 19821 2594 1 9 . 1 1 67 67 LYS N N 67 126.834 126.834 121.944 4.890 19821 2595 1 9 . 1 1 67 67 LYS HA H 67 4.169 4.169 4.735 -0.566 19821 2596 1 9 . 1 1 67 67 LYS CA C 67 57.478 57.478 54.662 2.816 19821 2597 1 9 . 1 1 67 67 LYS H H 67 7.966 7.966 9.186 -1.220 19821 2598 1 9 . 1 1 68 68 HIS N N 68 122.718 122.718 122.921 -0.203 19821 2599 1 9 . 1 1 68 68 HIS HA H 68 4.583 4.583 4.540 0.043 19821 2600 1 9 . 1 1 68 68 HIS CA C 68 55.566 55.566 57.151 -1.585 19821 2601 1 9 . 1 1 68 68 HIS H H 68 8.648 8.648 8.464 0.184 19821 2602 1 9 . 1 1 69 69 ARG N N 69 125.371 125.371 127.115 -1.744 19821 2603 1 9 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.355 -0.262 19821 2604 1 9 . 1 1 69 69 ARG CA C 69 56.940 56.940 56.368 0.572 19821 2605 1 9 . 1 1 69 69 ARG H H 69 8.334 8.334 8.874 -0.540 19821 2606 1 9 . 1 1 70 70 ASP N N 70 123.332 123.332 122.958 0.374 19821 2607 1 9 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.466 -0.039 19821 2608 1 9 . 1 1 70 70 ASP CA C 70 54.908 54.908 54.945 -0.037 19821 2609 1 9 . 1 1 70 70 ASP H H 70 8.400 8.400 8.073 0.327 19821 2610 1 9 . 1 1 71 71 GLU N N 71 123.365 123.365 127.368 -4.003 19821 2611 1 9 . 1 1 71 71 GLU HA H 71 4.077 4.077 3.966 0.111 19821 2612 1 9 . 1 1 71 71 GLU CA C 71 57.484 57.484 57.563 -0.079 19821 2613 1 9 . 1 1 71 71 GLU H H 71 8.300 8.300 8.231 0.069 19821 2614 1 9 . 1 1 72 72 LEU N N 72 123.444 123.444 127.959 -4.515 19821 2615 1 9 . 1 1 72 72 LEU HA H 72 4.114 4.114 3.961 0.153 19821 2616 1 9 . 1 1 72 72 LEU CA C 72 55.865 55.865 58.679 -2.814 19821 2617 1 9 . 1 1 72 72 LEU H H 72 8.038 8.038 8.694 -0.656 19821 2618 1 9 . 1 1 73 73 ALA N N 73 125.204 125.204 122.872 2.332 19821 2619 1 9 . 1 1 73 73 ALA HA H 73 4.041 4.041 3.978 0.063 19821 2620 1 9 . 1 1 73 73 ALA CA C 73 53.475 53.475 55.182 -1.707 19821 2621 1 9 . 1 1 73 73 ALA H H 73 7.890 7.890 8.353 -0.463 19821 2622 1 9 . 1 1 74 74 ASP N N 74 120.369 120.369 117.981 2.388 19821 2623 1 9 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.336 0.071 19821 2624 1 9 . 1 1 74 74 ASP CA C 74 54.790 54.790 56.075 -1.285 19821 2625 1 9 . 1 1 74 74 ASP H H 74 7.980 7.980 7.990 -0.010 19821 2626 1 9 . 1 1 75 75 LEU N N 75 123.629 123.629 121.260 2.369 19821 2627 1 9 . 1 1 75 75 LEU HA H 75 3.978 3.978 3.968 0.010 19821 2628 1 9 . 1 1 75 75 LEU CA C 75 56.343 56.343 57.699 -1.355 19821 2629 1 9 . 1 1 75 75 LEU H H 75 7.902 7.902 8.463 -0.561 19821 2630 1 9 . 1 1 76 76 GLU N N 76 120.501 120.501 118.609 1.892 19821 2631 1 9 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.048 -0.099 19821 2632 1 9 . 1 1 76 76 GLU CA C 76 57.239 57.239 58.909 -1.670 19821 2633 1 9 . 1 1 76 76 GLU H H 76 7.994 7.994 7.890 0.104 19821 2634 1 9 . 1 1 77 77 HIS N N 77 119.010 119.010 117.910 1.100 19821 2635 1 9 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.322 0.077 19821 2636 1 9 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.511 -2.467 19821 2637 1 9 . 1 1 77 77 HIS H H 77 7.959 7.959 7.728 0.231 19821 2638 1 10 . 1 1 4 4 LEU N N 4 125.414 125.414 122.038 3.376 19821 2639 1 10 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.150 0.202 19821 2640 1 10 . 1 1 4 4 LEU CA C 4 54.670 54.670 56.903 -2.233 19821 2641 1 10 . 1 1 4 4 LEU H H 4 7.844 7.844 8.207 -0.363 19821 2642 1 10 . 1 1 5 5 SER N N 5 120.078 120.078 111.819 8.259 19821 2643 1 10 . 1 1 5 5 SER HA H 5 4.279 4.279 4.265 0.014 19821 2644 1 10 . 1 1 5 5 SER CA C 5 57.119 57.119 58.693 -1.574 19821 2645 1 10 . 1 1 5 5 SER H H 5 8.615 8.615 8.014 0.601 19821 2646 1 10 . 1 1 6 6 LEU N N 6 124.468 124.468 119.052 5.416 19821 2647 1 10 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.450 -0.527 19821 2648 1 10 . 1 1 6 6 LEU CA C 6 58.493 58.493 54.242 4.251 19821 2649 1 10 . 1 1 6 6 LEU H H 6 8.719 8.719 7.439 1.280 19821 2650 1 10 . 1 1 7 7 THR N N 7 115.018 115.018 114.115 0.903 19821 2651 1 10 . 1 1 7 7 THR HA H 7 3.344 3.344 4.299 -0.955 19821 2652 1 10 . 1 1 7 7 THR CA C 7 68.469 68.469 61.099 7.370 19821 2653 1 10 . 1 1 7 7 THR H H 7 7.986 7.986 8.796 -0.810 19821 2654 1 10 . 1 1 8 8 GLN N N 8 120.628 120.628 123.196 -2.568 19821 2655 1 10 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.180 -0.451 19821 2656 1 10 . 1 1 8 8 GLN CA C 8 59.628 59.628 58.634 0.994 19821 2657 1 10 . 1 1 8 8 GLN H H 8 7.398 7.398 8.834 -1.436 19821 2658 1 10 . 1 1 9 9 LEU N N 9 121.103 121.103 117.260 3.843 19821 2659 1 10 . 1 1 9 9 LEU HA H 9 3.959 3.959 4.142 -0.183 19821 2660 1 10 . 1 1 9 9 LEU CA C 9 58.553 58.553 57.983 0.570 19821 2661 1 10 . 1 1 9 9 LEU H H 9 8.324 8.324 7.908 0.416 19821 2662 1 10 . 1 1 10 10 ILE N N 10 119.788 119.788 121.957 -2.169 19821 2663 1 10 . 1 1 10 10 ILE HA H 10 3.226 3.226 4.086 -0.860 19821 2664 1 10 . 1 1 10 10 ILE CA C 10 66.319 66.319 64.183 2.136 19821 2665 1 10 . 1 1 10 10 ILE H H 10 8.149 8.149 7.298 0.851 19821 2666 1 10 . 1 1 11 11 LEU N N 11 119.842 119.842 121.454 -1.612 19821 2667 1 10 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.198 -0.506 19821 2668 1 10 . 1 1 11 11 LEU CA C 11 58.911 58.911 58.369 0.542 19821 2669 1 10 . 1 1 11 11 LEU H H 11 7.847 7.847 8.525 -0.678 19821 2670 1 10 . 1 1 12 12 ILE N N 12 123.069 123.069 118.741 4.328 19821 2671 1 10 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.582 -0.063 19821 2672 1 10 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.329 -0.086 19821 2673 1 10 . 1 1 12 12 ILE H H 12 8.323 8.323 7.976 0.347 19821 2674 1 10 . 1 1 13 13 ARG N N 13 124.216 124.216 120.276 3.940 19821 2675 1 10 . 1 1 13 13 ARG HA H 13 3.619 3.619 3.863 -0.244 19821 2676 1 10 . 1 1 13 13 ARG CA C 13 57.717 57.717 59.484 -1.767 19821 2677 1 10 . 1 1 13 13 ARG H H 13 7.796 7.796 7.403 0.393 19821 2678 1 10 . 1 1 14 14 LEU N N 14 118.657 118.657 119.236 -0.579 19821 2679 1 10 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.832 0.539 19821 2680 1 10 . 1 1 14 14 LEU CA C 14 56.641 56.641 58.398 -1.758 19821 2681 1 10 . 1 1 14 14 LEU H H 14 8.450 8.450 8.159 0.291 19821 2682 1 10 . 1 1 15 15 SER N N 15 116.873 116.873 114.999 1.874 19821 2683 1 10 . 1 1 15 15 SER HA H 15 3.949 3.949 3.798 0.151 19821 2684 1 10 . 1 1 15 15 SER CA C 15 61.540 61.540 60.321 1.219 19821 2685 1 10 . 1 1 15 15 SER H H 15 7.864 7.864 7.807 0.057 19821 2686 1 10 . 1 1 16 16 ASN N N 16 118.994 118.994 115.507 3.487 19821 2687 1 10 . 1 1 16 16 ASN HA H 16 4.491 4.491 4.586 -0.095 19821 2688 1 10 . 1 1 16 16 ASN CA C 16 55.626 55.626 54.866 0.760 19821 2689 1 10 . 1 1 16 16 ASN H H 16 7.804 7.804 8.445 -0.641 19821 2690 1 10 . 1 1 17 17 ARG N N 17 117.557 117.557 118.132 -0.575 19821 2691 1 10 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.122 0.175 19821 2692 1 10 . 1 1 17 17 ARG CA C 17 54.610 54.610 58.579 -3.969 19821 2693 1 10 . 1 1 17 17 ARG H H 17 8.343 8.343 8.256 0.087 19821 2694 1 10 . 1 1 18 18 GLY N N 18 110.623 110.623 108.510 2.113 19821 2695 1 10 . 1 1 18 18 GLY CA C 18 44.455 44.455 46.693 -2.238 19821 2696 1 10 . 1 1 18 18 GLY H H 18 7.303 7.303 7.349 -0.046 19821 2697 1 10 . 1 1 19 19 CYS N N 19 117.667 117.667 116.113 1.554 19821 2698 1 10 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.413 0.489 19821 2699 1 10 . 1 1 19 19 CYS CA C 19 58.254 58.254 59.096 -0.842 19821 2700 1 10 . 1 1 19 19 CYS H H 19 7.950 7.950 8.087 -0.137 19821 2701 1 10 . 1 1 20 20 GLN N N 20 121.882 121.882 118.086 3.796 19821 2702 1 10 . 1 1 20 20 GLN HA H 20 5.104 5.104 4.045 1.059 19821 2703 1 10 . 1 1 20 20 GLN CA C 20 53.714 53.714 55.718 -2.004 19821 2704 1 10 . 1 1 20 20 GLN H H 20 8.615 8.615 7.861 0.754 19821 2705 1 10 . 1 1 21 21 THR N N 21 116.183 116.183 116.156 0.027 19821 2706 1 10 . 1 1 21 21 THR HA H 21 4.847 4.847 5.048 -0.201 19821 2707 1 10 . 1 1 21 21 THR CA C 21 60.763 60.763 60.496 0.267 19821 2708 1 10 . 1 1 21 21 THR H H 21 9.557 9.557 7.946 1.611 19821 2709 1 10 . 1 1 22 22 LEU N N 22 123.325 123.325 126.429 -3.104 19821 2710 1 10 . 1 1 22 22 LEU HA H 22 3.777 3.777 5.335 -1.558 19821 2711 1 10 . 1 1 22 22 LEU CA C 22 59.270 59.270 52.581 6.689 19821 2712 1 10 . 1 1 22 22 LEU H H 22 9.257 9.257 8.732 0.525 19821 2713 1 10 . 1 1 23 23 GLU N N 23 120.097 120.097 117.783 2.314 19821 2714 1 10 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.618 -0.695 19821 2715 1 10 . 1 1 23 23 GLU CA C 23 61.241 61.241 54.649 6.592 19821 2716 1 10 . 1 1 23 23 GLU H H 23 9.030 9.030 9.365 -0.335 19821 2717 1 10 . 1 1 24 24 GLU N N 24 122.438 122.438 121.701 0.737 19821 2718 1 10 . 1 1 24 24 GLU HA H 24 3.912 3.912 3.989 -0.077 19821 2719 1 10 . 1 1 24 24 GLU CA C 24 59.270 59.270 60.183 -0.913 19821 2720 1 10 . 1 1 24 24 GLU H H 24 7.734 7.734 9.221 -1.487 19821 2721 1 10 . 1 1 25 25 LEU N N 25 123.263 123.263 118.611 4.652 19821 2722 1 10 . 1 1 25 25 LEU HA H 25 4.132 4.132 4.173 -0.041 19821 2723 1 10 . 1 1 25 25 LEU CA C 25 58.314 58.314 57.971 0.343 19821 2724 1 10 . 1 1 25 25 LEU H H 25 8.350 8.350 8.304 0.046 19821 2725 1 10 . 1 1 26 26 GLU N N 26 129.504 129.504 120.130 9.374 19821 2726 1 10 . 1 1 26 26 GLU HA H 26 3.601 3.601 4.129 -0.528 19821 2727 1 10 . 1 1 26 26 GLU CA C 26 60.942 60.942 59.064 1.878 19821 2728 1 10 . 1 1 26 26 GLU H H 26 9.362 9.362 7.921 1.441 19821 2729 1 10 . 1 1 27 27 GLU N N 27 121.392 121.392 118.339 3.053 19821 2730 1 10 . 1 1 27 27 GLU HA H 27 3.857 3.857 4.132 -0.275 19821 2731 1 10 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.246 0.143 19821 2732 1 10 . 1 1 27 27 GLU H H 27 7.741 7.741 8.528 -0.787 19821 2733 1 10 . 1 1 28 28 PHE N N 28 117.204 117.204 121.076 -3.872 19821 2734 1 10 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.200 0.097 19821 2735 1 10 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.139 -0.316 19821 2736 1 10 . 1 1 28 28 PHE H H 28 7.392 7.392 8.392 -1.000 19821 2737 1 10 . 1 1 29 29 THR N N 29 107.601 107.601 113.128 -5.527 19821 2738 1 10 . 1 1 29 29 THR HA H 29 3.472 3.472 4.064 -0.592 19821 2739 1 10 . 1 1 29 29 THR CA C 29 63.989 63.989 64.575 -0.586 19821 2740 1 10 . 1 1 29 29 THR H H 29 8.220 8.220 7.767 0.453 19821 2741 1 10 . 1 1 30 30 GLN N N 30 116.862 116.862 118.201 -1.339 19821 2742 1 10 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.205 -0.476 19821 2743 1 10 . 1 1 30 30 GLN CA C 30 57.478 57.478 58.735 -1.257 19821 2744 1 10 . 1 1 30 30 GLN H H 30 7.974 7.974 7.600 0.374 19821 2745 1 10 . 1 1 31 31 ALA N N 31 122.778 122.778 118.807 3.971 19821 2746 1 10 . 1 1 31 31 ALA HA H 31 4.213 4.213 4.054 0.159 19821 2747 1 10 . 1 1 31 31 ALA CA C 31 51.265 51.265 53.541 -2.276 19821 2748 1 10 . 1 1 31 31 ALA H H 31 7.384 7.384 8.041 -0.657 19821 2749 1 10 . 1 1 32 32 LYS N N 32 121.107 121.107 117.372 3.735 19821 2750 1 10 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.969 0.090 19821 2751 1 10 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.525 -1.242 19821 2752 1 10 . 1 1 32 32 LYS H H 32 8.194 8.194 8.142 0.052 19821 2753 1 10 . 1 1 33 33 ARG N N 33 126.754 126.754 118.675 8.079 19821 2754 1 10 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.535 -0.266 19821 2755 1 10 . 1 1 33 33 ARG CA C 33 61.002 61.002 54.633 6.369 19821 2756 1 10 . 1 1 33 33 ARG H H 33 8.690 8.690 7.594 1.096 19821 2757 1 10 . 1 1 34 34 GLU N N 34 117.537 117.537 121.281 -3.744 19821 2758 1 10 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.217 -0.360 19821 2759 1 10 . 1 1 34 34 GLU CA C 34 60.619 60.619 56.586 4.033 19821 2760 1 10 . 1 1 34 34 GLU H H 34 9.236 9.236 8.540 0.696 19821 2761 1 10 . 1 1 35 35 VAL N N 35 121.054 121.054 125.793 -4.739 19821 2762 1 10 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.678 -0.004 19821 2763 1 10 . 1 1 35 35 VAL CA C 35 65.064 65.064 66.847 -1.783 19821 2764 1 10 . 1 1 35 35 VAL H H 35 6.681 6.681 8.835 -2.154 19821 2765 1 10 . 1 1 36 36 LEU N N 36 126.417 126.417 121.170 5.247 19821 2766 1 10 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.082 -0.463 19821 2767 1 10 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.983 0.809 19821 2768 1 10 . 1 1 36 36 LEU H H 36 8.140 8.140 8.507 -0.367 19821 2769 1 10 . 1 1 37 37 LEU N N 37 120.272 120.272 120.268 0.004 19821 2770 1 10 . 1 1 37 37 LEU HA H 37 3.766 3.766 3.900 -0.134 19821 2771 1 10 . 1 1 37 37 LEU CA C 37 58.911 58.911 57.987 0.924 19821 2772 1 10 . 1 1 37 37 LEU H H 37 8.492 8.492 7.993 0.499 19821 2773 1 10 . 1 1 38 38 VAL N N 38 122.614 122.614 119.444 3.170 19821 2774 1 10 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.821 -0.220 19821 2775 1 10 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.176 1.740 19821 2776 1 10 . 1 1 38 38 VAL H H 38 7.508 7.508 8.274 -0.766 19821 2777 1 10 . 1 1 39 39 THR N N 39 120.141 120.141 112.703 7.438 19821 2778 1 10 . 1 1 39 39 THR HA H 39 3.678 3.678 3.850 -0.172 19821 2779 1 10 . 1 1 39 39 THR CA C 39 67.812 67.812 65.291 2.521 19821 2780 1 10 . 1 1 39 39 THR H H 39 7.626 7.626 8.160 -0.534 19821 2781 1 10 . 1 1 40 40 LEU N N 40 123.404 123.404 120.859 2.545 19821 2782 1 10 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.806 -0.177 19821 2783 1 10 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.521 -1.088 19821 2784 1 10 . 1 1 40 40 LEU H H 40 8.644 8.644 7.774 0.870 19821 2785 1 10 . 1 1 41 41 THR N N 41 119.278 119.278 114.259 5.019 19821 2786 1 10 . 1 1 41 41 THR HA H 41 3.839 3.839 4.076 -0.237 19821 2787 1 10 . 1 1 41 41 THR CA C 41 67.573 67.573 65.719 1.854 19821 2788 1 10 . 1 1 41 41 THR H H 41 8.169 8.169 7.906 0.263 19821 2789 1 10 . 1 1 42 42 ARG N N 42 124.625 124.625 121.568 3.057 19821 2790 1 10 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.974 0.030 19821 2791 1 10 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.046 0.821 19821 2792 1 10 . 1 1 42 42 ARG H H 42 7.748 7.748 8.396 -0.648 19821 2793 1 10 . 1 1 43 43 LEU N N 43 120.115 120.115 122.374 -2.259 19821 2794 1 10 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.075 -0.181 19821 2795 1 10 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.319 -2.183 19821 2796 1 10 . 1 1 43 43 LEU H H 43 7.963 7.963 8.194 -0.231 19821 2797 1 10 . 1 1 44 44 HIS N N 44 123.297 123.297 120.569 2.728 19821 2798 1 10 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.286 0.121 19821 2799 1 10 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.836 -0.148 19821 2800 1 10 . 1 1 44 44 HIS H H 44 8.454 8.454 8.039 0.415 19821 2801 1 10 . 1 1 45 45 GLN N N 45 124.648 124.648 117.088 7.560 19821 2802 1 10 . 1 1 45 45 GLN HA H 45 3.821 3.821 4.066 -0.245 19821 2803 1 10 . 1 1 45 45 GLN CA C 45 59.270 59.270 58.315 0.955 19821 2804 1 10 . 1 1 45 45 GLN H H 45 8.626 8.626 8.196 0.430 19821 2805 1 10 . 1 1 46 46 ARG N N 46 117.047 117.047 121.132 -4.085 19821 2806 1 10 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.496 -0.327 19821 2807 1 10 . 1 1 46 46 ARG CA C 46 56.641 56.641 59.360 -2.719 19821 2808 1 10 . 1 1 46 46 ARG H H 46 7.628 7.628 8.213 -0.585 19821 2809 1 10 . 1 1 47 47 GLY N N 47 109.401 109.401 107.140 2.261 19821 2810 1 10 . 1 1 47 47 GLY CA C 47 46.128 46.128 47.222 -1.094 19821 2811 1 10 . 1 1 47 47 GLY H H 47 7.763 7.763 8.321 -0.558 19821 2812 1 10 . 1 1 48 48 VAL N N 48 118.932 118.932 117.380 1.552 19821 2813 1 10 . 1 1 48 48 VAL HA H 48 3.801 3.801 4.044 -0.243 19821 2814 1 10 . 1 1 48 48 VAL CA C 48 64.168 64.168 63.106 1.062 19821 2815 1 10 . 1 1 48 48 VAL H H 48 7.787 7.787 8.137 -0.350 19821 2816 1 10 . 1 1 49 49 ILE N N 49 110.494 110.494 117.718 -7.224 19821 2817 1 10 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.812 1.402 19821 2818 1 10 . 1 1 49 49 ILE CA C 49 58.075 58.075 61.773 -3.698 19821 2819 1 10 . 1 1 49 49 ILE H H 49 6.766 6.766 7.399 -0.633 19821 2820 1 10 . 1 1 50 50 TYR N N 50 120.330 120.330 119.419 0.911 19821 2821 1 10 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.451 0.433 19821 2822 1 10 . 1 1 50 50 TYR CA C 50 55.805 55.805 60.005 -4.200 19821 2823 1 10 . 1 1 50 50 TYR H H 50 9.025 9.025 8.122 0.903 19821 2824 1 10 . 1 1 51 51 ARG N N 51 120.608 120.608 113.271 7.337 19821 2825 1 10 . 1 1 51 51 ARG HA H 51 4.957 4.957 5.372 -0.415 19821 2826 1 10 . 1 1 51 51 ARG CA C 51 53.834 53.834 53.626 0.208 19821 2827 1 10 . 1 1 51 51 ARG H H 51 8.511 8.511 7.889 0.622 19821 2828 1 10 . 1 1 52 52 LYS N N 52 121.992 121.992 121.241 0.751 19821 2829 1 10 . 1 1 52 52 LYS HA H 52 4.371 4.371 4.992 -0.621 19821 2830 1 10 . 1 1 52 52 LYS CA C 52 55.626 55.626 55.298 0.328 19821 2831 1 10 . 1 1 52 52 LYS H H 52 8.324 8.324 9.041 -0.717 19821 2832 1 10 . 1 1 53 53 TRP N N 53 121.803 121.803 128.055 -6.252 19821 2833 1 10 . 1 1 53 53 TRP HA H 53 4.996 4.996 4.937 0.059 19821 2834 1 10 . 1 1 53 53 TRP CA C 53 56.462 56.462 55.786 0.676 19821 2835 1 10 . 1 1 53 53 TRP H H 53 8.457 8.457 8.088 0.369 19821 2836 1 10 . 1 1 54 54 ARG N N 54 127.059 127.059 125.768 1.291 19821 2837 1 10 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.628 -0.166 19821 2838 1 10 . 1 1 54 54 ARG CA C 54 55.088 55.088 53.963 1.125 19821 2839 1 10 . 1 1 54 54 ARG H H 54 9.555 9.555 8.667 0.888 19821 2840 1 10 . 1 1 55 55 HIS N N 55 127.930 127.930 120.117 7.813 19821 2841 1 10 . 1 1 55 55 HIS HA H 55 5.089 5.089 4.975 0.114 19821 2842 1 10 . 1 1 55 55 HIS CA C 55 55.984 55.984 54.861 1.123 19821 2843 1 10 . 1 1 55 55 HIS H H 55 9.019 9.019 8.817 0.202 19821 2844 1 10 . 1 1 56 56 PHE N N 56 125.912 125.912 124.496 1.416 19821 2845 1 10 . 1 1 56 56 PHE HA H 56 4.627 4.627 4.602 0.025 19821 2846 1 10 . 1 1 56 56 PHE CA C 56 58.195 58.195 57.683 0.512 19821 2847 1 10 . 1 1 56 56 PHE H H 56 8.707 8.707 8.515 0.192 19821 2848 1 10 . 1 1 57 57 SER N N 57 124.434 124.434 119.988 4.446 19821 2849 1 10 . 1 1 57 57 SER HA H 57 3.727 3.727 5.675 -1.948 19821 2850 1 10 . 1 1 57 57 SER CA C 57 58.433 58.433 57.168 1.265 19821 2851 1 10 . 1 1 57 57 SER H H 57 8.829 8.829 8.603 0.226 19821 2852 1 10 . 1 1 58 58 GLY N N 58 108.465 108.465 113.605 -5.140 19821 2853 1 10 . 1 1 58 58 GLY CA C 58 45.769 45.769 45.360 0.409 19821 2854 1 10 . 1 1 58 58 GLY H H 58 8.456 8.456 8.917 -0.461 19821 2855 1 10 . 1 1 59 59 ARG N N 59 122.424 122.424 127.363 -4.939 19821 2856 1 10 . 1 1 59 59 ARG HA H 59 4.381 4.381 3.702 0.679 19821 2857 1 10 . 1 1 59 59 ARG CA C 59 54.849 54.849 56.336 -1.487 19821 2858 1 10 . 1 1 59 59 ARG H H 59 7.803 7.803 8.850 -1.047 19821 2859 1 10 . 1 1 60 60 LYS N N 60 121.613 121.613 115.707 5.906 19821 2860 1 10 . 1 1 60 60 LYS HA H 60 5.041 5.041 3.973 1.068 19821 2861 1 10 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.254 -1.131 19821 2862 1 10 . 1 1 60 60 LYS H H 60 7.912 7.912 8.451 -0.539 19821 2863 1 10 . 1 1 61 61 TYR N N 61 122.435 122.435 121.022 1.413 19821 2864 1 10 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.666 0.236 19821 2865 1 10 . 1 1 61 61 TYR CA C 61 56.522 56.522 56.933 -0.411 19821 2866 1 10 . 1 1 61 61 TYR H H 61 8.883 8.883 7.907 0.976 19821 2867 1 10 . 1 1 62 62 ARG N N 62 127.580 127.580 122.480 5.100 19821 2868 1 10 . 1 1 62 62 ARG HA H 62 3.766 3.766 5.093 -1.327 19821 2869 1 10 . 1 1 62 62 ARG CA C 62 56.402 56.402 55.458 0.945 19821 2870 1 10 . 1 1 62 62 ARG H H 62 9.197 9.197 8.431 0.766 19821 2871 1 10 . 1 1 63 63 GLU N N 63 124.048 124.048 124.245 -0.197 19821 2872 1 10 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.444 -0.018 19821 2873 1 10 . 1 1 63 63 GLU CA C 63 53.834 53.834 54.742 -0.908 19821 2874 1 10 . 1 1 63 63 GLU H H 63 8.525 8.525 9.239 -0.714 19821 2875 1 10 . 1 1 64 64 TYR N N 64 121.860 121.860 125.622 -3.762 19821 2876 1 10 . 1 1 64 64 TYR HA H 64 4.536 4.536 4.261 0.275 19821 2877 1 10 . 1 1 64 64 TYR CA C 64 57.358 57.358 58.442 -1.084 19821 2878 1 10 . 1 1 64 64 TYR H H 64 8.578 8.578 8.899 -0.321 19821 2879 1 10 . 1 1 65 65 CYS N N 65 119.180 119.180 121.397 -2.217 19821 2880 1 10 . 1 1 65 65 CYS HA H 65 4.756 4.756 4.691 0.065 19821 2881 1 10 . 1 1 65 65 CYS CA C 65 53.177 53.177 57.522 -4.345 19821 2882 1 10 . 1 1 65 65 CYS H H 65 8.313 8.313 8.256 0.057 19821 2883 1 10 . 1 1 66 66 LEU N N 66 125.298 125.298 121.637 3.661 19821 2884 1 10 . 1 1 66 66 LEU HA H 66 4.151 4.151 4.816 -0.665 19821 2885 1 10 . 1 1 66 66 LEU CA C 66 55.805 55.805 53.723 2.082 19821 2886 1 10 . 1 1 66 66 LEU H H 66 8.917 8.917 8.955 -0.038 19821 2887 1 10 . 1 1 67 67 LYS N N 67 126.834 126.834 121.462 5.372 19821 2888 1 10 . 1 1 67 67 LYS HA H 67 4.169 4.169 5.234 -1.065 19821 2889 1 10 . 1 1 67 67 LYS CA C 67 57.478 57.478 52.671 4.807 19821 2890 1 10 . 1 1 67 67 LYS H H 67 7.966 7.966 9.129 -1.163 19821 2891 1 10 . 1 1 68 68 HIS N N 68 122.718 122.718 119.886 2.832 19821 2892 1 10 . 1 1 68 68 HIS HA H 68 4.583 4.583 4.563 0.020 19821 2893 1 10 . 1 1 68 68 HIS CA C 68 55.566 55.566 56.430 -0.864 19821 2894 1 10 . 1 1 68 68 HIS H H 68 8.648 8.648 8.365 0.283 19821 2895 1 10 . 1 1 69 69 ARG N N 69 125.371 125.371 125.731 -0.360 19821 2896 1 10 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.161 -0.068 19821 2897 1 10 . 1 1 69 69 ARG CA C 69 56.940 56.940 57.247 -0.307 19821 2898 1 10 . 1 1 69 69 ARG H H 69 8.334 8.334 8.656 -0.322 19821 2899 1 10 . 1 1 70 70 ASP N N 70 123.332 123.332 121.592 1.740 19821 2900 1 10 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.460 -0.033 19821 2901 1 10 . 1 1 70 70 ASP CA C 70 54.908 54.908 54.700 0.208 19821 2902 1 10 . 1 1 70 70 ASP H H 70 8.400 8.400 8.162 0.238 19821 2903 1 10 . 1 1 71 71 GLU N N 71 123.365 123.365 126.020 -2.655 19821 2904 1 10 . 1 1 71 71 GLU HA H 71 4.077 4.077 3.918 0.159 19821 2905 1 10 . 1 1 71 71 GLU CA C 71 57.484 57.484 57.422 0.062 19821 2906 1 10 . 1 1 71 71 GLU H H 71 8.300 8.300 8.134 0.166 19821 2907 1 10 . 1 1 72 72 LEU N N 72 123.444 123.444 127.985 -4.541 19821 2908 1 10 . 1 1 72 72 LEU HA H 72 4.114 4.114 3.984 0.130 19821 2909 1 10 . 1 1 72 72 LEU CA C 72 55.865 55.865 58.595 -2.730 19821 2910 1 10 . 1 1 72 72 LEU H H 72 8.038 8.038 8.696 -0.658 19821 2911 1 10 . 1 1 73 73 ALA N N 73 125.204 125.204 122.941 2.263 19821 2912 1 10 . 1 1 73 73 ALA HA H 73 4.041 4.041 4.006 0.035 19821 2913 1 10 . 1 1 73 73 ALA CA C 73 53.475 53.475 55.204 -1.729 19821 2914 1 10 . 1 1 73 73 ALA H H 73 7.890 7.890 8.355 -0.465 19821 2915 1 10 . 1 1 74 74 ASP N N 74 120.369 120.369 117.983 2.386 19821 2916 1 10 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.404 0.003 19821 2917 1 10 . 1 1 74 74 ASP CA C 74 54.790 54.790 56.200 -1.410 19821 2918 1 10 . 1 1 74 74 ASP H H 74 7.980 7.980 8.042 -0.062 19821 2919 1 10 . 1 1 75 75 LEU N N 75 123.629 123.629 121.035 2.594 19821 2920 1 10 . 1 1 75 75 LEU HA H 75 3.978 3.978 4.182 -0.204 19821 2921 1 10 . 1 1 75 75 LEU CA C 75 56.343 56.343 57.874 -1.531 19821 2922 1 10 . 1 1 75 75 LEU H H 75 7.902 7.902 8.487 -0.585 19821 2923 1 10 . 1 1 76 76 GLU N N 76 120.501 120.501 119.065 1.436 19821 2924 1 10 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.281 -0.332 19821 2925 1 10 . 1 1 76 76 GLU CA C 76 57.239 57.239 59.221 -1.982 19821 2926 1 10 . 1 1 76 76 GLU H H 76 7.994 7.994 8.147 -0.153 19821 2927 1 10 . 1 1 77 77 HIS N N 77 119.010 119.010 118.122 0.888 19821 2928 1 10 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.361 0.038 19821 2929 1 10 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.606 -2.562 19821 2930 1 10 . 1 1 77 77 HIS H H 77 7.959 7.959 7.945 0.014 19821 2931 1 11 . 1 1 4 4 LEU N N 4 125.414 125.414 122.456 2.958 19821 2932 1 11 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.199 0.153 19821 2933 1 11 . 1 1 4 4 LEU CA C 4 54.670 54.670 57.122 -2.452 19821 2934 1 11 . 1 1 4 4 LEU H H 4 7.844 7.844 8.366 -0.522 19821 2935 1 11 . 1 1 5 5 SER N N 5 120.078 120.078 112.328 7.750 19821 2936 1 11 . 1 1 5 5 SER HA H 5 4.279 4.279 4.352 -0.073 19821 2937 1 11 . 1 1 5 5 SER CA C 5 57.119 57.119 59.343 -2.224 19821 2938 1 11 . 1 1 5 5 SER H H 5 8.615 8.615 8.060 0.555 19821 2939 1 11 . 1 1 6 6 LEU N N 6 124.468 124.468 118.328 6.140 19821 2940 1 11 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.200 -0.277 19821 2941 1 11 . 1 1 6 6 LEU CA C 6 58.493 58.493 55.686 2.807 19821 2942 1 11 . 1 1 6 6 LEU H H 6 8.719 8.719 7.473 1.246 19821 2943 1 11 . 1 1 7 7 THR N N 7 115.018 115.018 113.123 1.895 19821 2944 1 11 . 1 1 7 7 THR HA H 7 3.344 3.344 4.246 -0.902 19821 2945 1 11 . 1 1 7 7 THR CA C 7 68.469 68.469 61.563 6.906 19821 2946 1 11 . 1 1 7 7 THR H H 7 7.986 7.986 7.848 0.138 19821 2947 1 11 . 1 1 8 8 GLN N N 8 120.628 120.628 127.679 -7.051 19821 2948 1 11 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.086 -0.357 19821 2949 1 11 . 1 1 8 8 GLN CA C 8 59.628 59.628 58.980 0.648 19821 2950 1 11 . 1 1 8 8 GLN H H 8 7.398 7.398 8.977 -1.579 19821 2951 1 11 . 1 1 9 9 LEU N N 9 121.103 121.103 121.417 -0.314 19821 2952 1 11 . 1 1 9 9 LEU HA H 9 3.959 3.959 3.940 0.019 19821 2953 1 11 . 1 1 9 9 LEU CA C 9 58.553 58.553 59.523 -0.970 19821 2954 1 11 . 1 1 9 9 LEU H H 9 8.324 8.324 7.958 0.366 19821 2955 1 11 . 1 1 10 10 ILE N N 10 119.788 119.788 120.815 -1.027 19821 2956 1 11 . 1 1 10 10 ILE HA H 10 3.226 3.226 4.023 -0.797 19821 2957 1 11 . 1 1 10 10 ILE CA C 10 66.319 66.319 63.398 2.921 19821 2958 1 11 . 1 1 10 10 ILE H H 10 8.149 8.149 7.690 0.459 19821 2959 1 11 . 1 1 11 11 LEU N N 11 119.842 119.842 122.327 -2.485 19821 2960 1 11 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.066 -0.374 19821 2961 1 11 . 1 1 11 11 LEU CA C 11 58.911 58.911 57.762 1.149 19821 2962 1 11 . 1 1 11 11 LEU H H 11 7.847 7.847 8.258 -0.411 19821 2963 1 11 . 1 1 12 12 ILE N N 12 123.069 123.069 119.184 3.885 19821 2964 1 11 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.572 -0.053 19821 2965 1 11 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.622 -0.379 19821 2966 1 11 . 1 1 12 12 ILE H H 12 8.323 8.323 7.866 0.457 19821 2967 1 11 . 1 1 13 13 ARG N N 13 124.216 124.216 119.279 4.937 19821 2968 1 11 . 1 1 13 13 ARG HA H 13 3.619 3.619 3.934 -0.315 19821 2969 1 11 . 1 1 13 13 ARG CA C 13 57.717 57.717 59.123 -1.406 19821 2970 1 11 . 1 1 13 13 ARG H H 13 7.796 7.796 7.341 0.455 19821 2971 1 11 . 1 1 14 14 LEU N N 14 118.657 118.657 120.182 -1.525 19821 2972 1 11 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.753 0.618 19821 2973 1 11 . 1 1 14 14 LEU CA C 14 56.641 56.641 59.074 -2.433 19821 2974 1 11 . 1 1 14 14 LEU H H 14 8.450 8.450 8.243 0.207 19821 2975 1 11 . 1 1 15 15 SER N N 15 116.873 116.873 114.208 2.665 19821 2976 1 11 . 1 1 15 15 SER HA H 15 3.949 3.949 4.168 -0.219 19821 2977 1 11 . 1 1 15 15 SER CA C 15 61.540 61.540 60.504 1.036 19821 2978 1 11 . 1 1 15 15 SER H H 15 7.864 7.864 7.866 -0.002 19821 2979 1 11 . 1 1 16 16 ASN N N 16 118.994 118.994 116.827 2.167 19821 2980 1 11 . 1 1 16 16 ASN HA H 16 4.491 4.491 4.586 -0.095 19821 2981 1 11 . 1 1 16 16 ASN CA C 16 55.626 55.626 55.235 0.391 19821 2982 1 11 . 1 1 16 16 ASN H H 16 7.804 7.804 8.510 -0.706 19821 2983 1 11 . 1 1 17 17 ARG N N 17 117.557 117.557 119.527 -1.970 19821 2984 1 11 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.032 0.265 19821 2985 1 11 . 1 1 17 17 ARG CA C 17 54.610 54.610 59.017 -4.407 19821 2986 1 11 . 1 1 17 17 ARG H H 17 8.343 8.343 8.259 0.084 19821 2987 1 11 . 1 1 18 18 GLY N N 18 110.623 110.623 108.837 1.786 19821 2988 1 11 . 1 1 18 18 GLY CA C 18 44.455 44.455 47.315 -2.860 19821 2989 1 11 . 1 1 18 18 GLY H H 18 7.303 7.303 7.837 -0.534 19821 2990 1 11 . 1 1 19 19 CYS N N 19 117.667 117.667 115.937 1.730 19821 2991 1 11 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.649 0.253 19821 2992 1 11 . 1 1 19 19 CYS CA C 19 58.254 58.254 59.304 -1.050 19821 2993 1 11 . 1 1 19 19 CYS H H 19 7.950 7.950 8.075 -0.125 19821 2994 1 11 . 1 1 20 20 GLN N N 20 121.882 121.882 119.819 2.063 19821 2995 1 11 . 1 1 20 20 GLN HA H 20 5.104 5.104 4.005 1.099 19821 2996 1 11 . 1 1 20 20 GLN CA C 20 53.714 53.714 56.393 -2.679 19821 2997 1 11 . 1 1 20 20 GLN H H 20 8.615 8.615 8.358 0.257 19821 2998 1 11 . 1 1 21 21 THR N N 21 116.183 116.183 117.212 -1.029 19821 2999 1 11 . 1 1 21 21 THR HA H 21 4.847 4.847 5.160 -0.313 19821 3000 1 11 . 1 1 21 21 THR CA C 21 60.763 60.763 60.824 -0.061 19821 3001 1 11 . 1 1 21 21 THR H H 21 9.557 9.557 7.897 1.660 19821 3002 1 11 . 1 1 22 22 LEU N N 22 123.325 123.325 125.889 -2.564 19821 3003 1 11 . 1 1 22 22 LEU HA H 22 3.777 3.777 4.927 -1.150 19821 3004 1 11 . 1 1 22 22 LEU CA C 22 59.270 59.270 53.113 6.157 19821 3005 1 11 . 1 1 22 22 LEU H H 22 9.257 9.257 8.992 0.265 19821 3006 1 11 . 1 1 23 23 GLU N N 23 120.097 120.097 118.687 1.410 19821 3007 1 11 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.621 -0.698 19821 3008 1 11 . 1 1 23 23 GLU CA C 23 61.241 61.241 55.758 5.483 19821 3009 1 11 . 1 1 23 23 GLU H H 23 9.030 9.030 9.335 -0.305 19821 3010 1 11 . 1 1 24 24 GLU N N 24 122.438 122.438 122.621 -0.183 19821 3011 1 11 . 1 1 24 24 GLU HA H 24 3.912 3.912 4.037 -0.125 19821 3012 1 11 . 1 1 24 24 GLU CA C 24 59.270 59.270 60.056 -0.785 19821 3013 1 11 . 1 1 24 24 GLU H H 24 7.734 7.734 8.849 -1.115 19821 3014 1 11 . 1 1 25 25 LEU N N 25 123.263 123.263 119.627 3.636 19821 3015 1 11 . 1 1 25 25 LEU HA H 25 4.132 4.132 3.900 0.232 19821 3016 1 11 . 1 1 25 25 LEU CA C 25 58.314 58.314 57.972 0.342 19821 3017 1 11 . 1 1 25 25 LEU H H 25 8.350 8.350 8.450 -0.100 19821 3018 1 11 . 1 1 26 26 GLU N N 26 129.504 129.504 120.160 9.344 19821 3019 1 11 . 1 1 26 26 GLU HA H 26 3.601 3.601 3.608 -0.007 19821 3020 1 11 . 1 1 26 26 GLU CA C 26 60.942 60.942 58.800 2.142 19821 3021 1 11 . 1 1 26 26 GLU H H 26 9.362 9.362 7.558 1.804 19821 3022 1 11 . 1 1 27 27 GLU N N 27 121.392 121.392 118.259 3.133 19821 3023 1 11 . 1 1 27 27 GLU HA H 27 3.857 3.857 3.925 -0.068 19821 3024 1 11 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.289 0.100 19821 3025 1 11 . 1 1 27 27 GLU H H 27 7.741 7.741 8.426 -0.685 19821 3026 1 11 . 1 1 28 28 PHE N N 28 117.204 117.204 120.505 -3.301 19821 3027 1 11 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.123 0.174 19821 3028 1 11 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.013 -0.190 19821 3029 1 11 . 1 1 28 28 PHE H H 28 7.392 7.392 8.248 -0.856 19821 3030 1 11 . 1 1 29 29 THR N N 29 107.601 107.601 113.233 -5.632 19821 3031 1 11 . 1 1 29 29 THR HA H 29 3.472 3.472 4.058 -0.586 19821 3032 1 11 . 1 1 29 29 THR CA C 29 63.989 63.989 64.462 -0.473 19821 3033 1 11 . 1 1 29 29 THR H H 29 8.220 8.220 7.555 0.665 19821 3034 1 11 . 1 1 30 30 GLN N N 30 116.862 116.862 117.369 -0.507 19821 3035 1 11 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.237 -0.508 19821 3036 1 11 . 1 1 30 30 GLN CA C 30 57.478 57.478 57.056 0.422 19821 3037 1 11 . 1 1 30 30 GLN H H 30 7.974 7.974 7.932 0.042 19821 3038 1 11 . 1 1 31 31 ALA N N 31 122.778 122.778 115.569 7.209 19821 3039 1 11 . 1 1 31 31 ALA HA H 31 4.213 4.213 4.235 -0.022 19821 3040 1 11 . 1 1 31 31 ALA CA C 31 51.265 51.265 52.397 -1.132 19821 3041 1 11 . 1 1 31 31 ALA H H 31 7.384 7.384 7.737 -0.353 19821 3042 1 11 . 1 1 32 32 LYS N N 32 121.107 121.107 118.809 2.298 19821 3043 1 11 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.913 0.146 19821 3044 1 11 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.624 -1.341 19821 3045 1 11 . 1 1 32 32 LYS H H 32 8.194 8.194 8.000 0.194 19821 3046 1 11 . 1 1 33 33 ARG N N 33 126.754 126.754 118.077 8.677 19821 3047 1 11 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.624 -0.355 19821 3048 1 11 . 1 1 33 33 ARG CA C 33 61.002 61.002 54.706 6.296 19821 3049 1 11 . 1 1 33 33 ARG H H 33 8.690 8.690 7.431 1.259 19821 3050 1 11 . 1 1 34 34 GLU N N 34 117.537 117.537 120.789 -3.252 19821 3051 1 11 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.211 -0.354 19821 3052 1 11 . 1 1 34 34 GLU CA C 34 60.619 60.619 56.903 3.716 19821 3053 1 11 . 1 1 34 34 GLU H H 34 9.236 9.236 8.508 0.728 19821 3054 1 11 . 1 1 35 35 VAL N N 35 121.054 121.054 126.790 -5.736 19821 3055 1 11 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.614 0.060 19821 3056 1 11 . 1 1 35 35 VAL CA C 35 65.064 65.064 66.677 -1.613 19821 3057 1 11 . 1 1 35 35 VAL H H 35 6.681 6.681 8.903 -2.222 19821 3058 1 11 . 1 1 36 36 LEU N N 36 126.417 126.417 120.300 6.117 19821 3059 1 11 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.106 -0.487 19821 3060 1 11 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.914 0.878 19821 3061 1 11 . 1 1 36 36 LEU H H 36 8.140 8.140 8.477 -0.337 19821 3062 1 11 . 1 1 37 37 LEU N N 37 120.272 120.272 120.264 0.008 19821 3063 1 11 . 1 1 37 37 LEU HA H 37 3.766 3.766 3.887 -0.121 19821 3064 1 11 . 1 1 37 37 LEU CA C 37 58.911 58.911 58.023 0.888 19821 3065 1 11 . 1 1 37 37 LEU H H 37 8.492 8.492 8.003 0.489 19821 3066 1 11 . 1 1 38 38 VAL N N 38 122.614 122.614 118.950 3.664 19821 3067 1 11 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.800 -0.199 19821 3068 1 11 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.103 1.813 19821 3069 1 11 . 1 1 38 38 VAL H H 38 7.508 7.508 7.981 -0.473 19821 3070 1 11 . 1 1 39 39 THR N N 39 120.141 120.141 112.833 7.308 19821 3071 1 11 . 1 1 39 39 THR HA H 39 3.678 3.678 3.900 -0.222 19821 3072 1 11 . 1 1 39 39 THR CA C 39 67.812 67.812 65.135 2.677 19821 3073 1 11 . 1 1 39 39 THR H H 39 7.626 7.626 8.316 -0.690 19821 3074 1 11 . 1 1 40 40 LEU N N 40 123.404 123.404 121.130 2.274 19821 3075 1 11 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.799 -0.170 19821 3076 1 11 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.569 -1.136 19821 3077 1 11 . 1 1 40 40 LEU H H 40 8.644 8.644 7.915 0.729 19821 3078 1 11 . 1 1 41 41 THR N N 41 119.278 119.278 114.134 5.144 19821 3079 1 11 . 1 1 41 41 THR HA H 41 3.839 3.839 4.088 -0.249 19821 3080 1 11 . 1 1 41 41 THR CA C 41 67.573 67.573 65.650 1.923 19821 3081 1 11 . 1 1 41 41 THR H H 41 8.169 8.169 7.775 0.394 19821 3082 1 11 . 1 1 42 42 ARG N N 42 124.625 124.625 121.526 3.099 19821 3083 1 11 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.772 0.232 19821 3084 1 11 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.029 0.838 19821 3085 1 11 . 1 1 42 42 ARG H H 42 7.748 7.748 8.139 -0.391 19821 3086 1 11 . 1 1 43 43 LEU N N 43 120.115 120.115 122.363 -2.248 19821 3087 1 11 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.237 -0.343 19821 3088 1 11 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.052 -1.917 19821 3089 1 11 . 1 1 43 43 LEU H H 43 7.963 7.963 8.116 -0.153 19821 3090 1 11 . 1 1 44 44 HIS N N 44 123.297 123.297 120.375 2.922 19821 3091 1 11 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.310 0.097 19821 3092 1 11 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.400 0.288 19821 3093 1 11 . 1 1 44 44 HIS H H 44 8.454 8.454 7.894 0.560 19821 3094 1 11 . 1 1 45 45 GLN N N 45 124.648 124.648 118.352 6.296 19821 3095 1 11 . 1 1 45 45 GLN HA H 45 3.821 3.821 3.956 -0.135 19821 3096 1 11 . 1 1 45 45 GLN CA C 45 59.270 59.270 58.629 0.641 19821 3097 1 11 . 1 1 45 45 GLN H H 45 8.626 8.626 7.810 0.816 19821 3098 1 11 . 1 1 46 46 ARG N N 46 117.047 117.047 120.232 -3.185 19821 3099 1 11 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.254 -0.085 19821 3100 1 11 . 1 1 46 46 ARG CA C 46 56.641 56.641 58.642 -2.001 19821 3101 1 11 . 1 1 46 46 ARG H H 46 7.628 7.628 7.830 -0.202 19821 3102 1 11 . 1 1 47 47 GLY N N 47 109.401 109.401 107.236 2.165 19821 3103 1 11 . 1 1 47 47 GLY CA C 47 46.128 46.128 47.665 -1.537 19821 3104 1 11 . 1 1 47 47 GLY H H 47 7.763 7.763 8.104 -0.341 19821 3105 1 11 . 1 1 48 48 VAL N N 48 118.932 118.932 114.830 4.102 19821 3106 1 11 . 1 1 48 48 VAL HA H 48 3.801 3.801 4.237 -0.436 19821 3107 1 11 . 1 1 48 48 VAL CA C 48 64.168 64.168 61.637 2.531 19821 3108 1 11 . 1 1 48 48 VAL H H 48 7.787 7.787 7.491 0.296 19821 3109 1 11 . 1 1 49 49 ILE N N 49 110.494 110.494 119.562 -9.068 19821 3110 1 11 . 1 1 49 49 ILE HA H 49 5.214 5.214 4.037 1.177 19821 3111 1 11 . 1 1 49 49 ILE CA C 49 58.075 58.075 62.010 -3.935 19821 3112 1 11 . 1 1 49 49 ILE H H 49 6.766 6.766 7.716 -0.950 19821 3113 1 11 . 1 1 50 50 TYR N N 50 120.330 120.330 119.846 0.484 19821 3114 1 11 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.632 0.252 19821 3115 1 11 . 1 1 50 50 TYR CA C 50 55.805 55.805 59.700 -3.895 19821 3116 1 11 . 1 1 50 50 TYR H H 50 9.025 9.025 8.591 0.434 19821 3117 1 11 . 1 1 51 51 ARG N N 51 120.608 120.608 112.192 8.416 19821 3118 1 11 . 1 1 51 51 ARG HA H 51 4.957 4.957 5.387 -0.430 19821 3119 1 11 . 1 1 51 51 ARG CA C 51 53.834 53.834 53.396 0.438 19821 3120 1 11 . 1 1 51 51 ARG H H 51 8.511 8.511 7.376 1.135 19821 3121 1 11 . 1 1 52 52 LYS N N 52 121.992 121.992 120.446 1.546 19821 3122 1 11 . 1 1 52 52 LYS HA H 52 4.371 4.371 4.993 -0.622 19821 3123 1 11 . 1 1 52 52 LYS CA C 52 55.626 55.626 54.321 1.305 19821 3124 1 11 . 1 1 52 52 LYS H H 52 8.324 8.324 8.606 -0.282 19821 3125 1 11 . 1 1 53 53 TRP N N 53 121.803 121.803 124.043 -2.240 19821 3126 1 11 . 1 1 53 53 TRP HA H 53 4.996 4.996 5.338 -0.342 19821 3127 1 11 . 1 1 53 53 TRP CA C 53 56.462 56.462 55.470 0.992 19821 3128 1 11 . 1 1 53 53 TRP H H 53 8.457 8.457 8.640 -0.183 19821 3129 1 11 . 1 1 54 54 ARG N N 54 127.059 127.059 123.085 3.974 19821 3130 1 11 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.600 -0.138 19821 3131 1 11 . 1 1 54 54 ARG CA C 54 55.088 55.088 54.244 0.844 19821 3132 1 11 . 1 1 54 54 ARG H H 54 9.555 9.555 8.631 0.924 19821 3133 1 11 . 1 1 55 55 HIS N N 55 127.930 127.930 119.628 8.302 19821 3134 1 11 . 1 1 55 55 HIS HA H 55 5.089 5.089 5.035 0.054 19821 3135 1 11 . 1 1 55 55 HIS CA C 55 55.984 55.984 55.709 0.275 19821 3136 1 11 . 1 1 55 55 HIS H H 55 9.019 9.019 8.648 0.371 19821 3137 1 11 . 1 1 56 56 PHE N N 56 125.912 125.912 125.012 0.900 19821 3138 1 11 . 1 1 56 56 PHE HA H 56 4.627 4.627 5.020 -0.393 19821 3139 1 11 . 1 1 56 56 PHE CA C 56 58.195 58.195 56.686 1.509 19821 3140 1 11 . 1 1 56 56 PHE H H 56 8.707 8.707 9.013 -0.306 19821 3141 1 11 . 1 1 57 57 SER N N 57 124.434 124.434 124.461 -0.027 19821 3142 1 11 . 1 1 57 57 SER HA H 57 3.727 3.727 4.532 -0.805 19821 3143 1 11 . 1 1 57 57 SER CA C 57 58.433 58.433 59.956 -1.523 19821 3144 1 11 . 1 1 57 57 SER H H 57 8.829 8.829 8.981 -0.152 19821 3145 1 11 . 1 1 58 58 GLY N N 58 108.465 108.465 116.639 -8.174 19821 3146 1 11 . 1 1 58 58 GLY CA C 58 45.769 45.769 45.380 0.389 19821 3147 1 11 . 1 1 58 58 GLY H H 58 8.456 8.456 8.597 -0.141 19821 3148 1 11 . 1 1 59 59 ARG N N 59 122.424 122.424 127.448 -5.024 19821 3149 1 11 . 1 1 59 59 ARG HA H 59 4.381 4.381 3.783 0.598 19821 3150 1 11 . 1 1 59 59 ARG CA C 59 54.849 54.849 57.143 -2.294 19821 3151 1 11 . 1 1 59 59 ARG H H 59 7.803 7.803 8.903 -1.100 19821 3152 1 11 . 1 1 60 60 LYS N N 60 121.613 121.613 117.018 4.595 19821 3153 1 11 . 1 1 60 60 LYS HA H 60 5.041 5.041 3.972 1.069 19821 3154 1 11 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.053 -0.931 19821 3155 1 11 . 1 1 60 60 LYS H H 60 7.912 7.912 8.040 -0.128 19821 3156 1 11 . 1 1 61 61 TYR N N 61 122.435 122.435 120.603 1.832 19821 3157 1 11 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.617 0.285 19821 3158 1 11 . 1 1 61 61 TYR CA C 61 56.522 56.522 55.746 0.776 19821 3159 1 11 . 1 1 61 61 TYR H H 61 8.883 8.883 7.705 1.178 19821 3160 1 11 . 1 1 62 62 ARG N N 62 127.580 127.580 123.954 3.626 19821 3161 1 11 . 1 1 62 62 ARG HA H 62 3.766 3.766 4.743 -0.977 19821 3162 1 11 . 1 1 62 62 ARG CA C 62 56.402 56.402 55.885 0.517 19821 3163 1 11 . 1 1 62 62 ARG H H 62 9.197 9.197 8.346 0.851 19821 3164 1 11 . 1 1 63 63 GLU N N 63 124.048 124.048 123.124 0.924 19821 3165 1 11 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.708 -0.282 19821 3166 1 11 . 1 1 63 63 GLU CA C 63 53.834 53.834 54.862 -1.028 19821 3167 1 11 . 1 1 63 63 GLU H H 63 8.525 8.525 9.285 -0.760 19821 3168 1 11 . 1 1 64 64 TYR N N 64 121.860 121.860 121.877 -0.017 19821 3169 1 11 . 1 1 64 64 TYR HA H 64 4.536 4.536 3.986 0.550 19821 3170 1 11 . 1 1 64 64 TYR CA C 64 57.358 57.358 58.601 -1.243 19821 3171 1 11 . 1 1 64 64 TYR H H 64 8.578 8.578 8.986 -0.408 19821 3172 1 11 . 1 1 65 65 CYS N N 65 119.180 119.180 123.446 -4.266 19821 3173 1 11 . 1 1 65 65 CYS HA H 65 4.756 4.756 4.906 -0.150 19821 3174 1 11 . 1 1 65 65 CYS CA C 65 53.177 53.177 57.522 -4.345 19821 3175 1 11 . 1 1 65 65 CYS H H 65 8.313 8.313 8.310 0.003 19821 3176 1 11 . 1 1 66 66 LEU N N 66 125.298 125.298 126.386 -1.088 19821 3177 1 11 . 1 1 66 66 LEU HA H 66 4.151 4.151 4.956 -0.805 19821 3178 1 11 . 1 1 66 66 LEU CA C 66 55.805 55.805 53.430 2.375 19821 3179 1 11 . 1 1 66 66 LEU H H 66 8.917 8.917 9.145 -0.228 19821 3180 1 11 . 1 1 67 67 LYS N N 67 126.834 126.834 122.289 4.545 19821 3181 1 11 . 1 1 67 67 LYS HA H 67 4.169 4.169 4.830 -0.661 19821 3182 1 11 . 1 1 67 67 LYS CA C 67 57.478 57.478 53.317 4.161 19821 3183 1 11 . 1 1 67 67 LYS H H 67 7.966 7.966 8.729 -0.763 19821 3184 1 11 . 1 1 68 68 HIS N N 68 122.718 122.718 127.468 -4.750 19821 3185 1 11 . 1 1 68 68 HIS HA H 68 4.583 4.583 4.555 0.028 19821 3186 1 11 . 1 1 68 68 HIS CA C 68 55.566 55.566 56.234 -0.668 19821 3187 1 11 . 1 1 68 68 HIS H H 68 8.648 8.648 8.355 0.293 19821 3188 1 11 . 1 1 69 69 ARG N N 69 125.371 125.371 124.725 0.646 19821 3189 1 11 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.589 -0.496 19821 3190 1 11 . 1 1 69 69 ARG CA C 69 56.940 56.940 54.883 2.057 19821 3191 1 11 . 1 1 69 69 ARG H H 69 8.334 8.334 7.926 0.408 19821 3192 1 11 . 1 1 70 70 ASP N N 70 123.332 123.332 125.158 -1.826 19821 3193 1 11 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.688 -0.261 19821 3194 1 11 . 1 1 70 70 ASP CA C 70 54.908 54.908 55.506 -0.598 19821 3195 1 11 . 1 1 70 70 ASP H H 70 8.400 8.400 8.851 -0.451 19821 3196 1 11 . 1 1 71 71 GLU N N 71 123.365 123.365 127.428 -4.063 19821 3197 1 11 . 1 1 71 71 GLU HA H 71 4.077 4.077 4.040 0.037 19821 3198 1 11 . 1 1 71 71 GLU CA C 71 57.484 57.484 57.059 0.426 19821 3199 1 11 . 1 1 71 71 GLU H H 71 8.300 8.300 8.508 -0.208 19821 3200 1 11 . 1 1 72 72 LEU N N 72 123.444 123.444 127.687 -4.243 19821 3201 1 11 . 1 1 72 72 LEU HA H 72 4.114 4.114 3.974 0.140 19821 3202 1 11 . 1 1 72 72 LEU CA C 72 55.865 55.865 58.207 -2.342 19821 3203 1 11 . 1 1 72 72 LEU H H 72 8.038 8.038 8.479 -0.441 19821 3204 1 11 . 1 1 73 73 ALA N N 73 125.204 125.204 122.904 2.300 19821 3205 1 11 . 1 1 73 73 ALA HA H 73 4.041 4.041 3.968 0.073 19821 3206 1 11 . 1 1 73 73 ALA CA C 73 53.475 53.475 55.012 -1.537 19821 3207 1 11 . 1 1 73 73 ALA H H 73 7.890 7.890 8.266 -0.376 19821 3208 1 11 . 1 1 74 74 ASP N N 74 120.369 120.369 117.982 2.387 19821 3209 1 11 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.282 0.125 19821 3210 1 11 . 1 1 74 74 ASP CA C 74 54.790 54.790 56.163 -1.373 19821 3211 1 11 . 1 1 74 74 ASP H H 74 7.980 7.980 7.916 0.064 19821 3212 1 11 . 1 1 75 75 LEU N N 75 123.629 123.629 120.641 2.988 19821 3213 1 11 . 1 1 75 75 LEU HA H 75 3.978 3.978 4.160 -0.182 19821 3214 1 11 . 1 1 75 75 LEU CA C 75 56.343 56.343 57.525 -1.182 19821 3215 1 11 . 1 1 75 75 LEU H H 75 7.902 7.902 7.908 -0.006 19821 3216 1 11 . 1 1 76 76 GLU N N 76 120.501 120.501 118.725 1.776 19821 3217 1 11 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.049 -0.100 19821 3218 1 11 . 1 1 76 76 GLU CA C 76 57.239 57.239 58.919 -1.680 19821 3219 1 11 . 1 1 76 76 GLU H H 76 7.994 7.994 7.846 0.148 19821 3220 1 11 . 1 1 77 77 HIS N N 77 119.010 119.010 117.859 1.151 19821 3221 1 11 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.324 0.075 19821 3222 1 11 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.433 -2.389 19821 3223 1 11 . 1 1 77 77 HIS H H 77 7.959 7.959 7.796 0.163 19821 3224 1 12 . 1 1 4 4 LEU N N 4 125.414 125.414 121.953 3.461 19821 3225 1 12 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.223 0.129 19821 3226 1 12 . 1 1 4 4 LEU CA C 4 54.670 54.670 56.467 -1.797 19821 3227 1 12 . 1 1 4 4 LEU H H 4 7.844 7.844 8.194 -0.350 19821 3228 1 12 . 1 1 5 5 SER N N 5 120.078 120.078 112.276 7.802 19821 3229 1 12 . 1 1 5 5 SER HA H 5 4.279 4.279 4.272 0.007 19821 3230 1 12 . 1 1 5 5 SER CA C 5 57.119 57.119 58.359 -1.240 19821 3231 1 12 . 1 1 5 5 SER H H 5 8.615 8.615 7.989 0.626 19821 3232 1 12 . 1 1 6 6 LEU N N 6 124.468 124.468 120.571 3.897 19821 3233 1 12 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.505 -0.582 19821 3234 1 12 . 1 1 6 6 LEU CA C 6 58.493 58.493 54.384 4.109 19821 3235 1 12 . 1 1 6 6 LEU H H 6 8.719 8.719 7.271 1.448 19821 3236 1 12 . 1 1 7 7 THR N N 7 115.018 115.018 115.482 -0.464 19821 3237 1 12 . 1 1 7 7 THR HA H 7 3.344 3.344 4.357 -1.013 19821 3238 1 12 . 1 1 7 7 THR CA C 7 68.469 68.469 61.267 7.202 19821 3239 1 12 . 1 1 7 7 THR H H 7 7.986 7.986 8.893 -0.907 19821 3240 1 12 . 1 1 8 8 GLN N N 8 120.628 120.628 120.512 0.116 19821 3241 1 12 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.168 -0.439 19821 3242 1 12 . 1 1 8 8 GLN CA C 8 59.628 59.628 59.480 0.148 19821 3243 1 12 . 1 1 8 8 GLN H H 8 7.398 7.398 8.882 -1.484 19821 3244 1 12 . 1 1 9 9 LEU N N 9 121.103 121.103 120.767 0.336 19821 3245 1 12 . 1 1 9 9 LEU HA H 9 3.959 3.959 3.995 -0.036 19821 3246 1 12 . 1 1 9 9 LEU CA C 9 58.553 58.553 59.844 -1.291 19821 3247 1 12 . 1 1 9 9 LEU H H 9 8.324 8.324 8.185 0.139 19821 3248 1 12 . 1 1 10 10 ILE N N 10 119.788 119.788 122.212 -2.424 19821 3249 1 12 . 1 1 10 10 ILE HA H 10 3.226 3.226 3.894 -0.668 19821 3250 1 12 . 1 1 10 10 ILE CA C 10 66.319 66.319 64.748 1.571 19821 3251 1 12 . 1 1 10 10 ILE H H 10 8.149 8.149 7.864 0.285 19821 3252 1 12 . 1 1 11 11 LEU N N 11 119.842 119.842 120.660 -0.818 19821 3253 1 12 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.135 -0.443 19821 3254 1 12 . 1 1 11 11 LEU CA C 11 58.911 58.911 58.223 0.688 19821 3255 1 12 . 1 1 11 11 LEU H H 11 7.847 7.847 8.537 -0.690 19821 3256 1 12 . 1 1 12 12 ILE N N 12 123.069 123.069 119.280 3.789 19821 3257 1 12 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.602 -0.083 19821 3258 1 12 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.509 -0.266 19821 3259 1 12 . 1 1 12 12 ILE H H 12 8.323 8.323 7.647 0.676 19821 3260 1 12 . 1 1 13 13 ARG N N 13 124.216 124.216 119.416 4.800 19821 3261 1 12 . 1 1 13 13 ARG HA H 13 3.619 3.619 3.930 -0.311 19821 3262 1 12 . 1 1 13 13 ARG CA C 13 57.717 57.717 59.422 -1.705 19821 3263 1 12 . 1 1 13 13 ARG H H 13 7.796 7.796 7.862 -0.066 19821 3264 1 12 . 1 1 14 14 LEU N N 14 118.657 118.657 119.313 -0.656 19821 3265 1 12 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.860 0.511 19821 3266 1 12 . 1 1 14 14 LEU CA C 14 56.641 56.641 58.827 -2.186 19821 3267 1 12 . 1 1 14 14 LEU H H 14 8.450 8.450 8.420 0.030 19821 3268 1 12 . 1 1 15 15 SER N N 15 116.873 116.873 115.755 1.118 19821 3269 1 12 . 1 1 15 15 SER HA H 15 3.949 3.949 3.948 0.001 19821 3270 1 12 . 1 1 15 15 SER CA C 15 61.540 61.540 60.602 0.938 19821 3271 1 12 . 1 1 15 15 SER H H 15 7.864 7.864 7.997 -0.133 19821 3272 1 12 . 1 1 16 16 ASN N N 16 118.994 118.994 116.083 2.911 19821 3273 1 12 . 1 1 16 16 ASN HA H 16 4.491 4.491 4.459 0.032 19821 3274 1 12 . 1 1 16 16 ASN CA C 16 55.626 55.626 55.525 0.101 19821 3275 1 12 . 1 1 16 16 ASN H H 16 7.804 7.804 8.507 -0.703 19821 3276 1 12 . 1 1 17 17 ARG N N 17 117.557 117.557 119.712 -2.155 19821 3277 1 12 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.030 0.267 19821 3278 1 12 . 1 1 17 17 ARG CA C 17 54.610 54.610 58.814 -4.204 19821 3279 1 12 . 1 1 17 17 ARG H H 17 8.343 8.343 8.173 0.170 19821 3280 1 12 . 1 1 18 18 GLY N N 18 110.623 110.623 108.820 1.803 19821 3281 1 12 . 1 1 18 18 GLY CA C 18 44.455 44.455 47.370 -2.915 19821 3282 1 12 . 1 1 18 18 GLY H H 18 7.303 7.303 7.833 -0.530 19821 3283 1 12 . 1 1 19 19 CYS N N 19 117.667 117.667 115.511 2.156 19821 3284 1 12 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.622 0.280 19821 3285 1 12 . 1 1 19 19 CYS CA C 19 58.254 58.254 57.637 0.617 19821 3286 1 12 . 1 1 19 19 CYS H H 19 7.950 7.950 7.848 0.102 19821 3287 1 12 . 1 1 20 20 GLN N N 20 121.882 121.882 120.434 1.448 19821 3288 1 12 . 1 1 20 20 GLN HA H 20 5.104 5.104 3.888 1.216 19821 3289 1 12 . 1 1 20 20 GLN CA C 20 53.714 53.714 56.708 -2.994 19821 3290 1 12 . 1 1 20 20 GLN H H 20 8.615 8.615 8.567 0.048 19821 3291 1 12 . 1 1 21 21 THR N N 21 116.183 116.183 117.330 -1.147 19821 3292 1 12 . 1 1 21 21 THR HA H 21 4.847 4.847 5.272 -0.425 19821 3293 1 12 . 1 1 21 21 THR CA C 21 60.763 60.763 60.127 0.636 19821 3294 1 12 . 1 1 21 21 THR H H 21 9.557 9.557 7.948 1.609 19821 3295 1 12 . 1 1 22 22 LEU N N 22 123.325 123.325 126.788 -3.463 19821 3296 1 12 . 1 1 22 22 LEU HA H 22 3.777 3.777 4.929 -1.152 19821 3297 1 12 . 1 1 22 22 LEU CA C 22 59.270 59.270 52.587 6.683 19821 3298 1 12 . 1 1 22 22 LEU H H 22 9.257 9.257 9.057 0.200 19821 3299 1 12 . 1 1 23 23 GLU N N 23 120.097 120.097 123.388 -3.291 19821 3300 1 12 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.643 -0.720 19821 3301 1 12 . 1 1 23 23 GLU CA C 23 61.241 61.241 57.867 3.374 19821 3302 1 12 . 1 1 23 23 GLU H H 23 9.030 9.030 9.272 -0.242 19821 3303 1 12 . 1 1 24 24 GLU N N 24 122.438 122.438 127.385 -4.947 19821 3304 1 12 . 1 1 24 24 GLU HA H 24 3.912 3.912 3.928 -0.016 19821 3305 1 12 . 1 1 24 24 GLU CA C 24 59.270 59.270 60.782 -1.512 19821 3306 1 12 . 1 1 24 24 GLU H H 24 7.734 7.734 9.175 -1.441 19821 3307 1 12 . 1 1 25 25 LEU N N 25 123.263 123.263 117.848 5.415 19821 3308 1 12 . 1 1 25 25 LEU HA H 25 4.132 4.132 4.008 0.124 19821 3309 1 12 . 1 1 25 25 LEU CA C 25 58.314 58.314 58.065 0.249 19821 3310 1 12 . 1 1 25 25 LEU H H 25 8.350 8.350 8.714 -0.364 19821 3311 1 12 . 1 1 26 26 GLU N N 26 129.504 129.504 120.477 9.027 19821 3312 1 12 . 1 1 26 26 GLU HA H 26 3.601 3.601 4.128 -0.527 19821 3313 1 12 . 1 1 26 26 GLU CA C 26 60.942 60.942 59.101 1.841 19821 3314 1 12 . 1 1 26 26 GLU H H 26 9.362 9.362 8.010 1.352 19821 3315 1 12 . 1 1 27 27 GLU N N 27 121.392 121.392 118.905 2.487 19821 3316 1 12 . 1 1 27 27 GLU HA H 27 3.857 3.857 4.027 -0.170 19821 3317 1 12 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.765 -0.376 19821 3318 1 12 . 1 1 27 27 GLU H H 27 7.741 7.741 8.773 -1.032 19821 3319 1 12 . 1 1 28 28 PHE N N 28 117.204 117.204 120.654 -3.450 19821 3320 1 12 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.157 0.140 19821 3321 1 12 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.196 -0.373 19821 3322 1 12 . 1 1 28 28 PHE H H 28 7.392 7.392 8.344 -0.952 19821 3323 1 12 . 1 1 29 29 THR N N 29 107.601 107.601 113.347 -5.746 19821 3324 1 12 . 1 1 29 29 THR HA H 29 3.472 3.472 4.089 -0.617 19821 3325 1 12 . 1 1 29 29 THR CA C 29 63.989 63.989 64.438 -0.449 19821 3326 1 12 . 1 1 29 29 THR H H 29 8.220 8.220 7.807 0.413 19821 3327 1 12 . 1 1 30 30 GLN N N 30 116.862 116.862 120.584 -3.722 19821 3328 1 12 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.119 -0.390 19821 3329 1 12 . 1 1 30 30 GLN CA C 30 57.478 57.478 58.485 -1.007 19821 3330 1 12 . 1 1 30 30 GLN H H 30 7.974 7.974 8.225 -0.251 19821 3331 1 12 . 1 1 31 31 ALA N N 31 122.778 122.778 116.754 6.024 19821 3332 1 12 . 1 1 31 31 ALA HA H 31 4.213 4.213 4.019 0.194 19821 3333 1 12 . 1 1 31 31 ALA CA C 31 51.265 51.265 52.819 -1.554 19821 3334 1 12 . 1 1 31 31 ALA H H 31 7.384 7.384 7.807 -0.423 19821 3335 1 12 . 1 1 32 32 LYS N N 32 121.107 121.107 117.570 3.537 19821 3336 1 12 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.910 0.149 19821 3337 1 12 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.302 -1.019 19821 3338 1 12 . 1 1 32 32 LYS H H 32 8.194 8.194 7.869 0.325 19821 3339 1 12 . 1 1 33 33 ARG N N 33 126.754 126.754 117.957 8.797 19821 3340 1 12 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.595 -0.326 19821 3341 1 12 . 1 1 33 33 ARG CA C 33 61.002 61.002 54.539 6.463 19821 3342 1 12 . 1 1 33 33 ARG H H 33 8.690 8.690 7.443 1.247 19821 3343 1 12 . 1 1 34 34 GLU N N 34 117.537 117.537 120.964 -3.427 19821 3344 1 12 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.191 -0.334 19821 3345 1 12 . 1 1 34 34 GLU CA C 34 60.619 60.619 56.921 3.698 19821 3346 1 12 . 1 1 34 34 GLU H H 34 9.236 9.236 8.504 0.732 19821 3347 1 12 . 1 1 35 35 VAL N N 35 121.054 121.054 126.961 -5.907 19821 3348 1 12 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.623 0.051 19821 3349 1 12 . 1 1 35 35 VAL CA C 35 65.064 65.064 66.685 -1.621 19821 3350 1 12 . 1 1 35 35 VAL H H 35 6.681 6.681 8.903 -2.222 19821 3351 1 12 . 1 1 36 36 LEU N N 36 126.417 126.417 120.292 6.125 19821 3352 1 12 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.104 -0.485 19821 3353 1 12 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.902 0.890 19821 3354 1 12 . 1 1 36 36 LEU H H 36 8.140 8.140 8.473 -0.333 19821 3355 1 12 . 1 1 37 37 LEU N N 37 120.272 120.272 120.247 0.025 19821 3356 1 12 . 1 1 37 37 LEU HA H 37 3.766 3.766 3.897 -0.131 19821 3357 1 12 . 1 1 37 37 LEU CA C 37 58.911 58.911 58.035 0.876 19821 3358 1 12 . 1 1 37 37 LEU H H 37 8.492 8.492 8.001 0.491 19821 3359 1 12 . 1 1 38 38 VAL N N 38 122.614 122.614 118.744 3.870 19821 3360 1 12 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.711 -0.110 19821 3361 1 12 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.424 1.492 19821 3362 1 12 . 1 1 38 38 VAL H H 38 7.508 7.508 7.945 -0.437 19821 3363 1 12 . 1 1 39 39 THR N N 39 120.141 120.141 112.866 7.275 19821 3364 1 12 . 1 1 39 39 THR HA H 39 3.678 3.678 3.906 -0.228 19821 3365 1 12 . 1 1 39 39 THR CA C 39 67.812 67.812 65.090 2.722 19821 3366 1 12 . 1 1 39 39 THR H H 39 7.626 7.626 8.316 -0.690 19821 3367 1 12 . 1 1 40 40 LEU N N 40 123.404 123.404 121.732 1.672 19821 3368 1 12 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.779 -0.150 19821 3369 1 12 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.712 -1.280 19821 3370 1 12 . 1 1 40 40 LEU H H 40 8.644 8.644 8.023 0.621 19821 3371 1 12 . 1 1 41 41 THR N N 41 119.278 119.278 116.777 2.501 19821 3372 1 12 . 1 1 41 41 THR HA H 41 3.839 3.839 4.031 -0.192 19821 3373 1 12 . 1 1 41 41 THR CA C 41 67.573 67.573 67.611 -0.038 19821 3374 1 12 . 1 1 41 41 THR H H 41 8.169 8.169 7.718 0.451 19821 3375 1 12 . 1 1 42 42 ARG N N 42 124.625 124.625 120.456 4.169 19821 3376 1 12 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.898 0.106 19821 3377 1 12 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.268 0.599 19821 3378 1 12 . 1 1 42 42 ARG H H 42 7.748 7.748 8.362 -0.614 19821 3379 1 12 . 1 1 43 43 LEU N N 43 120.115 120.115 122.472 -2.357 19821 3380 1 12 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.134 -0.240 19821 3381 1 12 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.377 -2.242 19821 3382 1 12 . 1 1 43 43 LEU H H 43 7.963 7.963 8.379 -0.416 19821 3383 1 12 . 1 1 44 44 HIS N N 44 123.297 123.297 120.867 2.430 19821 3384 1 12 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.339 0.068 19821 3385 1 12 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.556 0.133 19821 3386 1 12 . 1 1 44 44 HIS H H 44 8.454 8.454 8.042 0.412 19821 3387 1 12 . 1 1 45 45 GLN N N 45 124.648 124.648 118.046 6.602 19821 3388 1 12 . 1 1 45 45 GLN HA H 45 3.821 3.821 3.968 -0.147 19821 3389 1 12 . 1 1 45 45 GLN CA C 45 59.270 59.270 58.779 0.491 19821 3390 1 12 . 1 1 45 45 GLN H H 45 8.626 8.626 8.290 0.336 19821 3391 1 12 . 1 1 46 46 ARG N N 46 117.047 117.047 120.711 -3.664 19821 3392 1 12 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.215 -0.046 19821 3393 1 12 . 1 1 46 46 ARG CA C 46 56.641 56.641 59.189 -2.548 19821 3394 1 12 . 1 1 46 46 ARG H H 46 7.628 7.628 8.188 -0.560 19821 3395 1 12 . 1 1 47 47 GLY N N 47 109.401 109.401 107.146 2.255 19821 3396 1 12 . 1 1 47 47 GLY CA C 47 46.128 46.128 47.432 -1.304 19821 3397 1 12 . 1 1 47 47 GLY H H 47 7.763 7.763 8.328 -0.565 19821 3398 1 12 . 1 1 48 48 VAL N N 48 118.932 118.932 116.581 2.351 19821 3399 1 12 . 1 1 48 48 VAL HA H 48 3.801 3.801 3.928 -0.127 19821 3400 1 12 . 1 1 48 48 VAL CA C 48 64.168 64.168 63.008 1.160 19821 3401 1 12 . 1 1 48 48 VAL H H 48 7.787 7.787 7.671 0.116 19821 3402 1 12 . 1 1 49 49 ILE N N 49 110.494 110.494 117.820 -7.326 19821 3403 1 12 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.626 1.588 19821 3404 1 12 . 1 1 49 49 ILE CA C 49 58.075 58.075 61.249 -3.174 19821 3405 1 12 . 1 1 49 49 ILE H H 49 6.766 6.766 7.624 -0.858 19821 3406 1 12 . 1 1 50 50 TYR N N 50 120.330 120.330 120.450 -0.120 19821 3407 1 12 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.405 0.479 19821 3408 1 12 . 1 1 50 50 TYR CA C 50 55.805 55.805 60.389 -4.584 19821 3409 1 12 . 1 1 50 50 TYR H H 50 9.025 9.025 8.310 0.715 19821 3410 1 12 . 1 1 51 51 ARG N N 51 120.608 120.608 116.961 3.647 19821 3411 1 12 . 1 1 51 51 ARG HA H 51 4.957 4.957 4.637 0.320 19821 3412 1 12 . 1 1 51 51 ARG CA C 51 53.834 53.834 55.216 -1.382 19821 3413 1 12 . 1 1 51 51 ARG H H 51 8.511 8.511 7.171 1.340 19821 3414 1 12 . 1 1 52 52 LYS N N 52 121.992 121.992 126.261 -4.269 19821 3415 1 12 . 1 1 52 52 LYS HA H 52 4.371 4.371 4.972 -0.601 19821 3416 1 12 . 1 1 52 52 LYS CA C 52 55.626 55.626 54.568 1.058 19821 3417 1 12 . 1 1 52 52 LYS H H 52 8.324 8.324 9.107 -0.783 19821 3418 1 12 . 1 1 53 53 TRP N N 53 121.803 121.803 119.528 2.275 19821 3419 1 12 . 1 1 53 53 TRP HA H 53 4.996 4.996 5.636 -0.640 19821 3420 1 12 . 1 1 53 53 TRP CA C 53 56.462 56.462 54.885 1.577 19821 3421 1 12 . 1 1 53 53 TRP H H 53 8.457 8.457 8.562 -0.105 19821 3422 1 12 . 1 1 54 54 ARG N N 54 127.059 127.059 120.296 6.763 19821 3423 1 12 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.604 -0.142 19821 3424 1 12 . 1 1 54 54 ARG CA C 54 55.088 55.088 54.220 0.868 19821 3425 1 12 . 1 1 54 54 ARG H H 54 9.555 9.555 8.685 0.870 19821 3426 1 12 . 1 1 55 55 HIS N N 55 127.930 127.930 119.854 8.076 19821 3427 1 12 . 1 1 55 55 HIS HA H 55 5.089 5.089 5.249 -0.160 19821 3428 1 12 . 1 1 55 55 HIS CA C 55 55.984 55.984 54.935 1.048 19821 3429 1 12 . 1 1 55 55 HIS H H 55 9.019 9.019 8.774 0.245 19821 3430 1 12 . 1 1 56 56 PHE N N 56 125.912 125.912 123.984 1.928 19821 3431 1 12 . 1 1 56 56 PHE HA H 56 4.627 4.627 4.862 -0.235 19821 3432 1 12 . 1 1 56 56 PHE CA C 56 58.195 58.195 56.849 1.347 19821 3433 1 12 . 1 1 56 56 PHE H H 56 8.707 8.707 8.770 -0.063 19821 3434 1 12 . 1 1 57 57 SER N N 57 124.434 124.434 121.628 2.806 19821 3435 1 12 . 1 1 57 57 SER HA H 57 3.727 3.727 5.292 -1.565 19821 3436 1 12 . 1 1 57 57 SER CA C 57 58.433 58.433 56.796 1.637 19821 3437 1 12 . 1 1 57 57 SER H H 57 8.829 8.829 8.943 -0.114 19821 3438 1 12 . 1 1 58 58 GLY N N 58 108.465 108.465 114.020 -5.555 19821 3439 1 12 . 1 1 58 58 GLY CA C 58 45.769 45.769 44.115 1.654 19821 3440 1 12 . 1 1 58 58 GLY H H 58 8.456 8.456 8.437 0.019 19821 3441 1 12 . 1 1 59 59 ARG N N 59 122.424 122.424 128.398 -5.974 19821 3442 1 12 . 1 1 59 59 ARG HA H 59 4.381 4.381 3.735 0.646 19821 3443 1 12 . 1 1 59 59 ARG CA C 59 54.849 54.849 57.003 -2.154 19821 3444 1 12 . 1 1 59 59 ARG H H 59 7.803 7.803 9.101 -1.298 19821 3445 1 12 . 1 1 60 60 LYS N N 60 121.613 121.613 117.099 4.514 19821 3446 1 12 . 1 1 60 60 LYS HA H 60 5.041 5.041 3.921 1.120 19821 3447 1 12 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.583 -1.461 19821 3448 1 12 . 1 1 60 60 LYS H H 60 7.912 7.912 8.496 -0.584 19821 3449 1 12 . 1 1 61 61 TYR N N 61 122.435 122.435 120.199 2.236 19821 3450 1 12 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.718 0.184 19821 3451 1 12 . 1 1 61 61 TYR CA C 61 56.522 56.522 56.501 0.021 19821 3452 1 12 . 1 1 61 61 TYR H H 61 8.883 8.883 7.951 0.932 19821 3453 1 12 . 1 1 62 62 ARG N N 62 127.580 127.580 122.540 5.040 19821 3454 1 12 . 1 1 62 62 ARG HA H 62 3.766 3.766 5.036 -1.270 19821 3455 1 12 . 1 1 62 62 ARG CA C 62 56.402 56.402 55.682 0.720 19821 3456 1 12 . 1 1 62 62 ARG H H 62 9.197 9.197 8.369 0.828 19821 3457 1 12 . 1 1 63 63 GLU N N 63 124.048 124.048 123.909 0.139 19821 3458 1 12 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.529 -0.103 19821 3459 1 12 . 1 1 63 63 GLU CA C 63 53.834 53.834 54.970 -1.136 19821 3460 1 12 . 1 1 63 63 GLU H H 63 8.525 8.525 9.314 -0.789 19821 3461 1 12 . 1 1 64 64 TYR N N 64 121.860 121.860 122.522 -0.662 19821 3462 1 12 . 1 1 64 64 TYR HA H 64 4.536 4.536 4.875 -0.339 19821 3463 1 12 . 1 1 64 64 TYR CA C 64 57.358 57.358 56.848 0.510 19821 3464 1 12 . 1 1 64 64 TYR H H 64 8.578 8.578 8.938 -0.360 19821 3465 1 12 . 1 1 65 65 CYS N N 65 119.180 119.180 124.295 -5.115 19821 3466 1 12 . 1 1 65 65 CYS HA H 65 4.756 4.756 4.892 -0.136 19821 3467 1 12 . 1 1 65 65 CYS CA C 65 53.177 53.177 58.203 -5.026 19821 3468 1 12 . 1 1 65 65 CYS H H 65 8.313 8.313 8.319 -0.006 19821 3469 1 12 . 1 1 66 66 LEU N N 66 125.298 125.298 126.161 -0.863 19821 3470 1 12 . 1 1 66 66 LEU HA H 66 4.151 4.151 5.076 -0.925 19821 3471 1 12 . 1 1 66 66 LEU CA C 66 55.805 55.805 53.941 1.865 19821 3472 1 12 . 1 1 66 66 LEU H H 66 8.917 8.917 9.167 -0.250 19821 3473 1 12 . 1 1 67 67 LYS N N 67 126.834 126.834 120.477 6.357 19821 3474 1 12 . 1 1 67 67 LYS HA H 67 4.169 4.169 5.042 -0.873 19821 3475 1 12 . 1 1 67 67 LYS CA C 67 57.478 57.478 53.143 4.335 19821 3476 1 12 . 1 1 67 67 LYS H H 67 7.966 7.966 9.158 -1.192 19821 3477 1 12 . 1 1 68 68 HIS N N 68 122.718 122.718 122.284 0.434 19821 3478 1 12 . 1 1 68 68 HIS HA H 68 4.583 4.583 4.880 -0.297 19821 3479 1 12 . 1 1 68 68 HIS CA C 68 55.566 55.566 57.151 -1.585 19821 3480 1 12 . 1 1 68 68 HIS H H 68 8.648 8.648 8.568 0.080 19821 3481 1 12 . 1 1 69 69 ARG N N 69 125.371 125.371 118.472 6.899 19821 3482 1 12 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.092 0.001 19821 3483 1 12 . 1 1 69 69 ARG CA C 69 56.940 56.940 58.398 -1.458 19821 3484 1 12 . 1 1 69 69 ARG H H 69 8.334 8.334 7.482 0.852 19821 3485 1 12 . 1 1 70 70 ASP N N 70 123.332 123.332 116.826 6.506 19821 3486 1 12 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.402 0.025 19821 3487 1 12 . 1 1 70 70 ASP CA C 70 54.908 54.908 54.249 0.659 19821 3488 1 12 . 1 1 70 70 ASP H H 70 8.400 8.400 7.658 0.742 19821 3489 1 12 . 1 1 71 71 GLU N N 71 123.365 123.365 120.662 2.703 19821 3490 1 12 . 1 1 71 71 GLU HA H 71 4.077 4.077 4.174 -0.097 19821 3491 1 12 . 1 1 71 71 GLU CA C 71 57.484 57.484 56.747 0.737 19821 3492 1 12 . 1 1 71 71 GLU H H 71 8.300 8.300 7.794 0.506 19821 3493 1 12 . 1 1 72 72 LEU N N 72 123.444 123.444 126.836 -3.392 19821 3494 1 12 . 1 1 72 72 LEU HA H 72 4.114 4.114 4.064 0.050 19821 3495 1 12 . 1 1 72 72 LEU CA C 72 55.865 55.865 58.465 -2.600 19821 3496 1 12 . 1 1 72 72 LEU H H 72 8.038 8.038 8.771 -0.733 19821 3497 1 12 . 1 1 73 73 ALA N N 73 125.204 125.204 121.999 3.205 19821 3498 1 12 . 1 1 73 73 ALA HA H 73 4.041 4.041 4.080 -0.039 19821 3499 1 12 . 1 1 73 73 ALA CA C 73 53.475 53.475 55.055 -1.580 19821 3500 1 12 . 1 1 73 73 ALA H H 73 7.890 7.890 8.428 -0.538 19821 3501 1 12 . 1 1 74 74 ASP N N 74 120.369 120.369 118.911 1.458 19821 3502 1 12 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.510 -0.103 19821 3503 1 12 . 1 1 74 74 ASP CA C 74 54.790 54.790 56.700 -1.910 19821 3504 1 12 . 1 1 74 74 ASP H H 74 7.980 7.980 8.113 -0.133 19821 3505 1 12 . 1 1 75 75 LEU N N 75 123.629 123.629 121.318 2.311 19821 3506 1 12 . 1 1 75 75 LEU HA H 75 3.978 3.978 4.176 -0.198 19821 3507 1 12 . 1 1 75 75 LEU CA C 75 56.343 56.343 57.827 -1.484 19821 3508 1 12 . 1 1 75 75 LEU H H 75 7.902 7.902 8.622 -0.720 19821 3509 1 12 . 1 1 76 76 GLU N N 76 120.501 120.501 119.326 1.175 19821 3510 1 12 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.229 -0.280 19821 3511 1 12 . 1 1 76 76 GLU CA C 76 57.239 57.239 59.176 -1.937 19821 3512 1 12 . 1 1 76 76 GLU H H 76 7.994 7.994 7.943 0.051 19821 3513 1 12 . 1 1 77 77 HIS N N 77 119.010 119.010 118.384 0.626 19821 3514 1 12 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.370 0.029 19821 3515 1 12 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.456 -2.412 19821 3516 1 12 . 1 1 77 77 HIS H H 77 7.959 7.959 7.849 0.110 19821 3517 1 13 . 1 1 4 4 LEU N N 4 125.414 125.414 122.240 3.174 19821 3518 1 13 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.149 0.203 19821 3519 1 13 . 1 1 4 4 LEU CA C 4 54.670 54.670 56.907 -2.237 19821 3520 1 13 . 1 1 4 4 LEU H H 4 7.844 7.844 8.175 -0.331 19821 3521 1 13 . 1 1 5 5 SER N N 5 120.078 120.078 111.722 8.356 19821 3522 1 13 . 1 1 5 5 SER HA H 5 4.279 4.279 4.268 0.011 19821 3523 1 13 . 1 1 5 5 SER CA C 5 57.119 57.119 58.642 -1.524 19821 3524 1 13 . 1 1 5 5 SER H H 5 8.615 8.615 8.090 0.525 19821 3525 1 13 . 1 1 6 6 LEU N N 6 124.468 124.468 119.454 5.014 19821 3526 1 13 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.581 -0.658 19821 3527 1 13 . 1 1 6 6 LEU CA C 6 58.493 58.493 53.728 4.764 19821 3528 1 13 . 1 1 6 6 LEU H H 6 8.719 8.719 7.337 1.382 19821 3529 1 13 . 1 1 7 7 THR N N 7 115.018 115.018 114.628 0.390 19821 3530 1 13 . 1 1 7 7 THR HA H 7 3.344 3.344 4.329 -0.985 19821 3531 1 13 . 1 1 7 7 THR CA C 7 68.469 68.469 61.515 6.954 19821 3532 1 13 . 1 1 7 7 THR H H 7 7.986 7.986 8.910 -0.924 19821 3533 1 13 . 1 1 8 8 GLN N N 8 120.628 120.628 121.250 -0.622 19821 3534 1 13 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.181 -0.452 19821 3535 1 13 . 1 1 8 8 GLN CA C 8 59.628 59.628 59.008 0.620 19821 3536 1 13 . 1 1 8 8 GLN H H 8 7.398 7.398 8.970 -1.571 19821 3537 1 13 . 1 1 9 9 LEU N N 9 121.103 121.103 121.585 -0.482 19821 3538 1 13 . 1 1 9 9 LEU HA H 9 3.959 3.959 3.972 -0.013 19821 3539 1 13 . 1 1 9 9 LEU CA C 9 58.553 58.553 59.565 -1.012 19821 3540 1 13 . 1 1 9 9 LEU H H 9 8.324 8.324 8.069 0.255 19821 3541 1 13 . 1 1 10 10 ILE N N 10 119.788 119.788 122.209 -2.421 19821 3542 1 13 . 1 1 10 10 ILE HA H 10 3.226 3.226 3.892 -0.666 19821 3543 1 13 . 1 1 10 10 ILE CA C 10 66.319 66.319 64.782 1.537 19821 3544 1 13 . 1 1 10 10 ILE H H 10 8.149 8.149 7.930 0.219 19821 3545 1 13 . 1 1 11 11 LEU N N 11 119.842 119.842 120.597 -0.755 19821 3546 1 13 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.145 -0.453 19821 3547 1 13 . 1 1 11 11 LEU CA C 11 58.911 58.911 58.065 0.846 19821 3548 1 13 . 1 1 11 11 LEU H H 11 7.847 7.847 8.307 -0.460 19821 3549 1 13 . 1 1 12 12 ILE N N 12 123.069 123.069 119.809 3.260 19821 3550 1 13 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.576 -0.057 19821 3551 1 13 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.594 -0.351 19821 3552 1 13 . 1 1 12 12 ILE H H 12 8.323 8.323 7.903 0.420 19821 3553 1 13 . 1 1 13 13 ARG N N 13 124.216 124.216 119.330 4.886 19821 3554 1 13 . 1 1 13 13 ARG HA H 13 3.619 3.619 3.908 -0.289 19821 3555 1 13 . 1 1 13 13 ARG CA C 13 57.717 57.717 59.362 -1.645 19821 3556 1 13 . 1 1 13 13 ARG H H 13 7.796 7.796 7.961 -0.165 19821 3557 1 13 . 1 1 14 14 LEU N N 14 118.657 118.657 120.252 -1.595 19821 3558 1 13 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.839 0.532 19821 3559 1 13 . 1 1 14 14 LEU CA C 14 56.641 56.641 58.830 -2.189 19821 3560 1 13 . 1 1 14 14 LEU H H 14 8.450 8.450 8.216 0.234 19821 3561 1 13 . 1 1 15 15 SER N N 15 116.873 116.873 115.316 1.557 19821 3562 1 13 . 1 1 15 15 SER HA H 15 3.949 3.949 3.901 0.048 19821 3563 1 13 . 1 1 15 15 SER CA C 15 61.540 61.540 60.601 0.939 19821 3564 1 13 . 1 1 15 15 SER H H 15 7.864 7.864 7.988 -0.124 19821 3565 1 13 . 1 1 16 16 ASN N N 16 118.994 118.994 116.293 2.701 19821 3566 1 13 . 1 1 16 16 ASN HA H 16 4.491 4.491 4.705 -0.214 19821 3567 1 13 . 1 1 16 16 ASN CA C 16 55.626 55.626 55.391 0.235 19821 3568 1 13 . 1 1 16 16 ASN H H 16 7.804 7.804 8.316 -0.512 19821 3569 1 13 . 1 1 17 17 ARG N N 17 117.557 117.557 118.546 -0.989 19821 3570 1 13 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.083 0.214 19821 3571 1 13 . 1 1 17 17 ARG CA C 17 54.610 54.610 58.650 -4.040 19821 3572 1 13 . 1 1 17 17 ARG H H 17 8.343 8.343 7.803 0.540 19821 3573 1 13 . 1 1 18 18 GLY N N 18 110.623 110.623 107.035 3.588 19821 3574 1 13 . 1 1 18 18 GLY CA C 18 44.455 44.455 46.538 -2.083 19821 3575 1 13 . 1 1 18 18 GLY H H 18 7.303 7.303 7.678 -0.375 19821 3576 1 13 . 1 1 19 19 CYS N N 19 117.667 117.667 117.672 -0.005 19821 3577 1 13 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.711 0.191 19821 3578 1 13 . 1 1 19 19 CYS CA C 19 58.254 58.254 57.366 0.888 19821 3579 1 13 . 1 1 19 19 CYS H H 19 7.950 7.950 7.878 0.072 19821 3580 1 13 . 1 1 20 20 GLN N N 20 121.882 121.882 120.861 1.021 19821 3581 1 13 . 1 1 20 20 GLN HA H 20 5.104 5.104 4.051 1.053 19821 3582 1 13 . 1 1 20 20 GLN CA C 20 53.714 53.714 57.412 -3.698 19821 3583 1 13 . 1 1 20 20 GLN H H 20 8.615 8.615 8.741 -0.126 19821 3584 1 13 . 1 1 21 21 THR N N 21 116.183 116.183 108.837 7.346 19821 3585 1 13 . 1 1 21 21 THR HA H 21 4.847 4.847 5.267 -0.420 19821 3586 1 13 . 1 1 21 21 THR CA C 21 60.763 60.763 59.544 1.218 19821 3587 1 13 . 1 1 21 21 THR H H 21 9.557 9.557 7.564 1.993 19821 3588 1 13 . 1 1 22 22 LEU N N 22 123.325 123.325 121.481 1.844 19821 3589 1 13 . 1 1 22 22 LEU HA H 22 3.777 3.777 5.393 -1.616 19821 3590 1 13 . 1 1 22 22 LEU CA C 22 59.270 59.270 52.696 6.574 19821 3591 1 13 . 1 1 22 22 LEU H H 22 9.257 9.257 8.862 0.395 19821 3592 1 13 . 1 1 23 23 GLU N N 23 120.097 120.097 117.063 3.034 19821 3593 1 13 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.785 -0.862 19821 3594 1 13 . 1 1 23 23 GLU CA C 23 61.241 61.241 53.982 7.259 19821 3595 1 13 . 1 1 23 23 GLU H H 23 9.030 9.030 9.271 -0.241 19821 3596 1 13 . 1 1 24 24 GLU N N 24 122.438 122.438 121.087 1.351 19821 3597 1 13 . 1 1 24 24 GLU HA H 24 3.912 3.912 4.003 -0.091 19821 3598 1 13 . 1 1 24 24 GLU CA C 24 59.270 59.270 60.497 -1.227 19821 3599 1 13 . 1 1 24 24 GLU H H 24 7.734 7.734 9.264 -1.530 19821 3600 1 13 . 1 1 25 25 LEU N N 25 123.263 123.263 120.872 2.391 19821 3601 1 13 . 1 1 25 25 LEU HA H 25 4.132 4.132 4.181 -0.049 19821 3602 1 13 . 1 1 25 25 LEU CA C 25 58.314 58.314 57.957 0.357 19821 3603 1 13 . 1 1 25 25 LEU H H 25 8.350 8.350 8.304 0.046 19821 3604 1 13 . 1 1 26 26 GLU N N 26 129.504 129.504 119.562 9.942 19821 3605 1 13 . 1 1 26 26 GLU HA H 26 3.601 3.601 4.116 -0.515 19821 3606 1 13 . 1 1 26 26 GLU CA C 26 60.942 60.942 59.244 1.698 19821 3607 1 13 . 1 1 26 26 GLU H H 26 9.362 9.362 8.056 1.306 19821 3608 1 13 . 1 1 27 27 GLU N N 27 121.392 121.392 118.486 2.906 19821 3609 1 13 . 1 1 27 27 GLU HA H 27 3.857 3.857 4.121 -0.264 19821 3610 1 13 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.460 -0.071 19821 3611 1 13 . 1 1 27 27 GLU H H 27 7.741 7.741 8.562 -0.821 19821 3612 1 13 . 1 1 28 28 PHE N N 28 117.204 117.204 120.990 -3.786 19821 3613 1 13 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.267 0.030 19821 3614 1 13 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.339 -0.516 19821 3615 1 13 . 1 1 28 28 PHE H H 28 7.392 7.392 8.250 -0.858 19821 3616 1 13 . 1 1 29 29 THR N N 29 107.601 107.601 112.484 -4.883 19821 3617 1 13 . 1 1 29 29 THR HA H 29 3.472 3.472 4.072 -0.600 19821 3618 1 13 . 1 1 29 29 THR CA C 29 63.989 63.989 64.228 -0.239 19821 3619 1 13 . 1 1 29 29 THR H H 29 8.220 8.220 7.739 0.481 19821 3620 1 13 . 1 1 30 30 GLN N N 30 116.862 116.862 118.399 -1.537 19821 3621 1 13 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.134 -0.405 19821 3622 1 13 . 1 1 30 30 GLN CA C 30 57.478 57.478 58.502 -1.024 19821 3623 1 13 . 1 1 30 30 GLN H H 30 7.974 7.974 7.968 0.006 19821 3624 1 13 . 1 1 31 31 ALA N N 31 122.778 122.778 118.385 4.393 19821 3625 1 13 . 1 1 31 31 ALA HA H 31 4.213 4.213 3.965 0.248 19821 3626 1 13 . 1 1 31 31 ALA CA C 31 51.265 51.265 52.768 -1.503 19821 3627 1 13 . 1 1 31 31 ALA H H 31 7.384 7.384 8.118 -0.734 19821 3628 1 13 . 1 1 32 32 LYS N N 32 121.107 121.107 117.770 3.337 19821 3629 1 13 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.927 0.132 19821 3630 1 13 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.530 -1.247 19821 3631 1 13 . 1 1 32 32 LYS H H 32 8.194 8.194 7.786 0.408 19821 3632 1 13 . 1 1 33 33 ARG N N 33 126.754 126.754 117.482 9.272 19821 3633 1 13 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.585 -0.316 19821 3634 1 13 . 1 1 33 33 ARG CA C 33 61.002 61.002 54.938 6.064 19821 3635 1 13 . 1 1 33 33 ARG H H 33 8.690 8.690 7.576 1.114 19821 3636 1 13 . 1 1 34 34 GLU N N 34 117.537 117.537 120.540 -3.003 19821 3637 1 13 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.195 -0.338 19821 3638 1 13 . 1 1 34 34 GLU CA C 34 60.619 60.619 56.366 4.253 19821 3639 1 13 . 1 1 34 34 GLU H H 34 9.236 9.236 8.555 0.681 19821 3640 1 13 . 1 1 35 35 VAL N N 35 121.054 121.054 126.284 -5.230 19821 3641 1 13 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.758 -0.084 19821 3642 1 13 . 1 1 35 35 VAL CA C 35 65.064 65.064 65.334 -0.270 19821 3643 1 13 . 1 1 35 35 VAL H H 35 6.681 6.681 8.862 -2.181 19821 3644 1 13 . 1 1 36 36 LEU N N 36 126.417 126.417 121.379 5.038 19821 3645 1 13 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.083 -0.464 19821 3646 1 13 . 1 1 36 36 LEU CA C 36 58.792 58.792 58.058 0.734 19821 3647 1 13 . 1 1 36 36 LEU H H 36 8.140 8.140 8.594 -0.454 19821 3648 1 13 . 1 1 37 37 LEU N N 37 120.272 120.272 120.703 -0.431 19821 3649 1 13 . 1 1 37 37 LEU HA H 37 3.766 3.766 3.905 -0.139 19821 3650 1 13 . 1 1 37 37 LEU CA C 37 58.911 58.911 58.151 0.760 19821 3651 1 13 . 1 1 37 37 LEU H H 37 8.492 8.492 7.451 1.041 19821 3652 1 13 . 1 1 38 38 VAL N N 38 122.614 122.614 119.165 3.449 19821 3653 1 13 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.770 -0.169 19821 3654 1 13 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.282 1.634 19821 3655 1 13 . 1 1 38 38 VAL H H 38 7.508 7.508 7.830 -0.322 19821 3656 1 13 . 1 1 39 39 THR N N 39 120.141 120.141 113.386 6.755 19821 3657 1 13 . 1 1 39 39 THR HA H 39 3.678 3.678 3.689 -0.011 19821 3658 1 13 . 1 1 39 39 THR CA C 39 67.812 67.812 65.335 2.477 19821 3659 1 13 . 1 1 39 39 THR H H 39 7.626 7.626 8.144 -0.518 19821 3660 1 13 . 1 1 40 40 LEU N N 40 123.404 123.404 119.379 4.025 19821 3661 1 13 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.749 -0.120 19821 3662 1 13 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.506 -1.073 19821 3663 1 13 . 1 1 40 40 LEU H H 40 8.644 8.644 7.802 0.842 19821 3664 1 13 . 1 1 41 41 THR N N 41 119.278 119.278 114.050 5.228 19821 3665 1 13 . 1 1 41 41 THR HA H 41 3.839 3.839 4.140 -0.301 19821 3666 1 13 . 1 1 41 41 THR CA C 41 67.573 67.573 65.725 1.849 19821 3667 1 13 . 1 1 41 41 THR H H 41 8.169 8.169 7.714 0.455 19821 3668 1 13 . 1 1 42 42 ARG N N 42 124.625 124.625 121.861 2.764 19821 3669 1 13 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.959 0.045 19821 3670 1 13 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.193 0.674 19821 3671 1 13 . 1 1 42 42 ARG H H 42 7.748 7.748 8.334 -0.586 19821 3672 1 13 . 1 1 43 43 LEU N N 43 120.115 120.115 122.439 -2.324 19821 3673 1 13 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.202 -0.308 19821 3674 1 13 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.289 -2.154 19821 3675 1 13 . 1 1 43 43 LEU H H 43 7.963 7.963 8.455 -0.492 19821 3676 1 13 . 1 1 44 44 HIS N N 44 123.297 123.297 120.578 2.719 19821 3677 1 13 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.288 0.119 19821 3678 1 13 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.694 -0.006 19821 3679 1 13 . 1 1 44 44 HIS H H 44 8.454 8.454 7.990 0.464 19821 3680 1 13 . 1 1 45 45 GLN N N 45 124.648 124.648 117.286 7.362 19821 3681 1 13 . 1 1 45 45 GLN HA H 45 3.821 3.821 4.040 -0.219 19821 3682 1 13 . 1 1 45 45 GLN CA C 45 59.270 59.270 58.491 0.779 19821 3683 1 13 . 1 1 45 45 GLN H H 45 8.626 8.626 8.141 0.485 19821 3684 1 13 . 1 1 46 46 ARG N N 46 117.047 117.047 121.313 -4.266 19821 3685 1 13 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.409 -0.240 19821 3686 1 13 . 1 1 46 46 ARG CA C 46 56.641 56.641 59.572 -2.930 19821 3687 1 13 . 1 1 46 46 ARG H H 46 7.628 7.628 8.358 -0.730 19821 3688 1 13 . 1 1 47 47 GLY N N 47 109.401 109.401 108.036 1.365 19821 3689 1 13 . 1 1 47 47 GLY CA C 47 46.128 46.128 47.464 -1.336 19821 3690 1 13 . 1 1 47 47 GLY H H 47 7.763 7.763 8.425 -0.662 19821 3691 1 13 . 1 1 48 48 VAL N N 48 118.932 118.932 116.882 2.050 19821 3692 1 13 . 1 1 48 48 VAL HA H 48 3.801 3.801 4.138 -0.337 19821 3693 1 13 . 1 1 48 48 VAL CA C 48 64.168 64.168 62.315 1.853 19821 3694 1 13 . 1 1 48 48 VAL H H 48 7.787 7.787 7.523 0.264 19821 3695 1 13 . 1 1 49 49 ILE N N 49 110.494 110.494 118.342 -7.848 19821 3696 1 13 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.835 1.379 19821 3697 1 13 . 1 1 49 49 ILE CA C 49 58.075 58.075 61.959 -3.884 19821 3698 1 13 . 1 1 49 49 ILE H H 49 6.766 6.766 7.652 -0.886 19821 3699 1 13 . 1 1 50 50 TYR N N 50 120.330 120.330 117.981 2.349 19821 3700 1 13 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.627 0.257 19821 3701 1 13 . 1 1 50 50 TYR CA C 50 55.805 55.805 59.158 -3.353 19821 3702 1 13 . 1 1 50 50 TYR H H 50 9.025 9.025 8.272 0.753 19821 3703 1 13 . 1 1 51 51 ARG N N 51 120.608 120.608 116.137 4.471 19821 3704 1 13 . 1 1 51 51 ARG HA H 51 4.957 4.957 5.331 -0.374 19821 3705 1 13 . 1 1 51 51 ARG CA C 51 53.834 53.834 54.032 -0.198 19821 3706 1 13 . 1 1 51 51 ARG H H 51 8.511 8.511 7.509 1.002 19821 3707 1 13 . 1 1 52 52 LYS N N 52 121.992 121.992 122.686 -0.694 19821 3708 1 13 . 1 1 52 52 LYS HA H 52 4.371 4.371 5.066 -0.695 19821 3709 1 13 . 1 1 52 52 LYS CA C 52 55.626 55.626 53.587 2.039 19821 3710 1 13 . 1 1 52 52 LYS H H 52 8.324 8.324 9.025 -0.701 19821 3711 1 13 . 1 1 53 53 TRP N N 53 121.803 121.803 121.882 -0.079 19821 3712 1 13 . 1 1 53 53 TRP HA H 53 4.996 4.996 5.005 -0.009 19821 3713 1 13 . 1 1 53 53 TRP CA C 53 56.462 56.462 55.852 0.610 19821 3714 1 13 . 1 1 53 53 TRP H H 53 8.457 8.457 8.440 0.017 19821 3715 1 13 . 1 1 54 54 ARG N N 54 127.059 127.059 124.297 2.762 19821 3716 1 13 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.700 -0.238 19821 3717 1 13 . 1 1 54 54 ARG CA C 54 55.088 55.088 54.898 0.191 19821 3718 1 13 . 1 1 54 54 ARG H H 54 9.555 9.555 8.421 1.134 19821 3719 1 13 . 1 1 55 55 HIS N N 55 127.930 127.930 123.780 4.150 19821 3720 1 13 . 1 1 55 55 HIS HA H 55 5.089 5.089 5.312 -0.223 19821 3721 1 13 . 1 1 55 55 HIS CA C 55 55.984 55.984 55.310 0.674 19821 3722 1 13 . 1 1 55 55 HIS H H 55 9.019 9.019 8.965 0.054 19821 3723 1 13 . 1 1 56 56 PHE N N 56 125.912 125.912 125.234 0.678 19821 3724 1 13 . 1 1 56 56 PHE HA H 56 4.627 4.627 5.068 -0.441 19821 3725 1 13 . 1 1 56 56 PHE CA C 56 58.195 58.195 56.842 1.353 19821 3726 1 13 . 1 1 56 56 PHE H H 56 8.707 8.707 8.911 -0.204 19821 3727 1 13 . 1 1 57 57 SER N N 57 124.434 124.434 123.789 0.645 19821 3728 1 13 . 1 1 57 57 SER HA H 57 3.727 3.727 5.175 -1.448 19821 3729 1 13 . 1 1 57 57 SER CA C 57 58.433 58.433 57.534 0.899 19821 3730 1 13 . 1 1 57 57 SER H H 57 8.829 8.829 9.019 -0.190 19821 3731 1 13 . 1 1 58 58 GLY N N 58 108.465 108.465 110.694 -2.229 19821 3732 1 13 . 1 1 58 58 GLY CA C 58 45.769 45.769 44.357 1.412 19821 3733 1 13 . 1 1 58 58 GLY H H 58 8.456 8.456 8.396 0.060 19821 3734 1 13 . 1 1 59 59 ARG N N 59 122.424 122.424 121.299 1.125 19821 3735 1 13 . 1 1 59 59 ARG HA H 59 4.381 4.381 4.008 0.373 19821 3736 1 13 . 1 1 59 59 ARG CA C 59 54.849 54.849 56.765 -1.916 19821 3737 1 13 . 1 1 59 59 ARG H H 59 7.803 7.803 9.106 -1.303 19821 3738 1 13 . 1 1 60 60 LYS N N 60 121.613 121.613 117.631 3.982 19821 3739 1 13 . 1 1 60 60 LYS HA H 60 5.041 5.041 3.852 1.189 19821 3740 1 13 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.316 -1.194 19821 3741 1 13 . 1 1 60 60 LYS H H 60 7.912 7.912 8.541 -0.629 19821 3742 1 13 . 1 1 61 61 TYR N N 61 122.435 122.435 119.796 2.639 19821 3743 1 13 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.589 0.313 19821 3744 1 13 . 1 1 61 61 TYR CA C 61 56.522 56.522 55.691 0.831 19821 3745 1 13 . 1 1 61 61 TYR H H 61 8.883 8.883 7.338 1.545 19821 3746 1 13 . 1 1 62 62 ARG N N 62 127.580 127.580 125.854 1.726 19821 3747 1 13 . 1 1 62 62 ARG HA H 62 3.766 3.766 4.642 -0.876 19821 3748 1 13 . 1 1 62 62 ARG CA C 62 56.402 56.402 55.987 0.415 19821 3749 1 13 . 1 1 62 62 ARG H H 62 9.197 9.197 8.638 0.559 19821 3750 1 13 . 1 1 63 63 GLU N N 63 124.048 124.048 125.972 -1.924 19821 3751 1 13 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.449 -0.023 19821 3752 1 13 . 1 1 63 63 GLU CA C 63 53.834 53.834 54.934 -1.100 19821 3753 1 13 . 1 1 63 63 GLU H H 63 8.525 8.525 9.278 -0.753 19821 3754 1 13 . 1 1 64 64 TYR N N 64 121.860 121.860 125.508 -3.648 19821 3755 1 13 . 1 1 64 64 TYR HA H 64 4.536 4.536 4.133 0.403 19821 3756 1 13 . 1 1 64 64 TYR CA C 64 57.358 57.358 57.656 -0.297 19821 3757 1 13 . 1 1 64 64 TYR H H 64 8.578 8.578 9.018 -0.440 19821 3758 1 13 . 1 1 65 65 CYS N N 65 119.180 119.180 125.344 -6.164 19821 3759 1 13 . 1 1 65 65 CYS HA H 65 4.756 4.756 4.660 0.096 19821 3760 1 13 . 1 1 65 65 CYS CA C 65 53.177 53.177 57.564 -4.387 19821 3761 1 13 . 1 1 65 65 CYS H H 65 8.313 8.313 8.331 -0.018 19821 3762 1 13 . 1 1 66 66 LEU N N 66 125.298 125.298 124.596 0.702 19821 3763 1 13 . 1 1 66 66 LEU HA H 66 4.151 4.151 4.569 -0.418 19821 3764 1 13 . 1 1 66 66 LEU CA C 66 55.805 55.805 54.537 1.268 19821 3765 1 13 . 1 1 66 66 LEU H H 66 8.917 8.917 8.991 -0.074 19821 3766 1 13 . 1 1 67 67 LYS N N 67 126.834 126.834 122.522 4.312 19821 3767 1 13 . 1 1 67 67 LYS HA H 67 4.169 4.169 4.688 -0.519 19821 3768 1 13 . 1 1 67 67 LYS CA C 67 57.478 57.478 54.177 3.301 19821 3769 1 13 . 1 1 67 67 LYS H H 67 7.966 7.966 8.843 -0.877 19821 3770 1 13 . 1 1 68 68 HIS N N 68 122.718 122.718 122.696 0.022 19821 3771 1 13 . 1 1 68 68 HIS HA H 68 4.583 4.583 4.622 -0.039 19821 3772 1 13 . 1 1 68 68 HIS CA C 68 55.566 55.566 57.282 -1.716 19821 3773 1 13 . 1 1 68 68 HIS H H 68 8.648 8.648 8.383 0.265 19821 3774 1 13 . 1 1 69 69 ARG N N 69 125.371 125.371 126.174 -0.803 19821 3775 1 13 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.488 -0.395 19821 3776 1 13 . 1 1 69 69 ARG CA C 69 56.940 56.940 57.547 -0.607 19821 3777 1 13 . 1 1 69 69 ARG H H 69 8.334 8.334 8.937 -0.603 19821 3778 1 13 . 1 1 70 70 ASP N N 70 123.332 123.332 120.417 2.915 19821 3779 1 13 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.993 -0.566 19821 3780 1 13 . 1 1 70 70 ASP CA C 70 54.908 54.908 52.812 2.096 19821 3781 1 13 . 1 1 70 70 ASP H H 70 8.400 8.400 7.931 0.469 19821 3782 1 13 . 1 1 71 71 GLU N N 71 123.365 123.365 124.999 -1.634 19821 3783 1 13 . 1 1 71 71 GLU HA H 71 4.077 4.077 4.117 -0.040 19821 3784 1 13 . 1 1 71 71 GLU CA C 71 57.484 57.484 59.629 -2.145 19821 3785 1 13 . 1 1 71 71 GLU H H 71 8.300 8.300 8.971 -0.671 19821 3786 1 13 . 1 1 72 72 LEU N N 72 123.444 123.444 120.588 2.856 19821 3787 1 13 . 1 1 72 72 LEU HA H 72 4.114 4.114 4.140 -0.026 19821 3788 1 13 . 1 1 72 72 LEU CA C 72 55.865 55.865 58.306 -2.441 19821 3789 1 13 . 1 1 72 72 LEU H H 72 8.038 8.038 8.414 -0.376 19821 3790 1 13 . 1 1 73 73 ALA N N 73 125.204 125.204 122.365 2.839 19821 3791 1 13 . 1 1 73 73 ALA HA H 73 4.041 4.041 4.056 -0.015 19821 3792 1 13 . 1 1 73 73 ALA CA C 73 53.475 53.475 54.361 -0.886 19821 3793 1 13 . 1 1 73 73 ALA H H 73 7.890 7.890 8.128 -0.238 19821 3794 1 13 . 1 1 74 74 ASP N N 74 120.369 120.369 120.126 0.243 19821 3795 1 13 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.354 0.053 19821 3796 1 13 . 1 1 74 74 ASP CA C 74 54.790 54.790 56.842 -2.052 19821 3797 1 13 . 1 1 74 74 ASP H H 74 7.980 7.980 8.102 -0.122 19821 3798 1 13 . 1 1 75 75 LEU N N 75 123.629 123.629 119.972 3.657 19821 3799 1 13 . 1 1 75 75 LEU HA H 75 3.978 3.978 3.827 0.151 19821 3800 1 13 . 1 1 75 75 LEU CA C 75 56.343 56.343 57.653 -1.310 19821 3801 1 13 . 1 1 75 75 LEU H H 75 7.902 7.902 8.110 -0.208 19821 3802 1 13 . 1 1 76 76 GLU N N 76 120.501 120.501 118.426 2.075 19821 3803 1 13 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.062 -0.113 19821 3804 1 13 . 1 1 76 76 GLU CA C 76 57.239 57.239 58.919 -1.680 19821 3805 1 13 . 1 1 76 76 GLU H H 76 7.994 7.994 7.671 0.323 19821 3806 1 13 . 1 1 77 77 HIS N N 77 119.010 119.010 117.966 1.044 19821 3807 1 13 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.325 0.074 19821 3808 1 13 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.443 -2.399 19821 3809 1 13 . 1 1 77 77 HIS H H 77 7.959 7.959 7.743 0.216 19821 3810 1 14 . 1 1 4 4 LEU N N 4 125.414 125.414 121.952 3.462 19821 3811 1 14 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.146 0.206 19821 3812 1 14 . 1 1 4 4 LEU CA C 4 54.670 54.670 56.878 -2.208 19821 3813 1 14 . 1 1 4 4 LEU H H 4 7.844 7.844 8.195 -0.351 19821 3814 1 14 . 1 1 5 5 SER N N 5 120.078 120.078 111.795 8.283 19821 3815 1 14 . 1 1 5 5 SER HA H 5 4.279 4.279 4.254 0.025 19821 3816 1 14 . 1 1 5 5 SER CA C 5 57.119 57.119 58.758 -1.639 19821 3817 1 14 . 1 1 5 5 SER H H 5 8.615 8.615 8.019 0.596 19821 3818 1 14 . 1 1 6 6 LEU N N 6 124.468 124.468 119.123 5.345 19821 3819 1 14 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.500 -0.577 19821 3820 1 14 . 1 1 6 6 LEU CA C 6 58.493 58.493 53.792 4.701 19821 3821 1 14 . 1 1 6 6 LEU H H 6 8.719 8.719 7.424 1.295 19821 3822 1 14 . 1 1 7 7 THR N N 7 115.018 115.018 114.235 0.783 19821 3823 1 14 . 1 1 7 7 THR HA H 7 3.344 3.344 4.369 -1.025 19821 3824 1 14 . 1 1 7 7 THR CA C 7 68.469 68.469 61.529 6.940 19821 3825 1 14 . 1 1 7 7 THR H H 7 7.986 7.986 8.813 -0.827 19821 3826 1 14 . 1 1 8 8 GLN N N 8 120.628 120.628 120.706 -0.078 19821 3827 1 14 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.159 -0.430 19821 3828 1 14 . 1 1 8 8 GLN CA C 8 59.628 59.628 59.335 0.293 19821 3829 1 14 . 1 1 8 8 GLN H H 8 7.398 7.398 8.927 -1.529 19821 3830 1 14 . 1 1 9 9 LEU N N 9 121.103 121.103 121.078 0.025 19821 3831 1 14 . 1 1 9 9 LEU HA H 9 3.959 3.959 3.972 -0.013 19821 3832 1 14 . 1 1 9 9 LEU CA C 9 58.553 58.553 59.847 -1.294 19821 3833 1 14 . 1 1 9 9 LEU H H 9 8.324 8.324 8.232 0.092 19821 3834 1 14 . 1 1 10 10 ILE N N 10 119.788 119.788 122.050 -2.262 19821 3835 1 14 . 1 1 10 10 ILE HA H 10 3.226 3.226 3.864 -0.638 19821 3836 1 14 . 1 1 10 10 ILE CA C 10 66.319 66.319 64.771 1.548 19821 3837 1 14 . 1 1 10 10 ILE H H 10 8.149 8.149 7.838 0.311 19821 3838 1 14 . 1 1 11 11 LEU N N 11 119.842 119.842 120.309 -0.467 19821 3839 1 14 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.216 -0.524 19821 3840 1 14 . 1 1 11 11 LEU CA C 11 58.911 58.911 58.009 0.902 19821 3841 1 14 . 1 1 11 11 LEU H H 11 7.847 7.847 8.284 -0.437 19821 3842 1 14 . 1 1 12 12 ILE N N 12 123.069 123.069 119.492 3.577 19821 3843 1 14 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.536 -0.017 19821 3844 1 14 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.591 -0.348 19821 3845 1 14 . 1 1 12 12 ILE H H 12 8.323 8.323 8.134 0.189 19821 3846 1 14 . 1 1 13 13 ARG N N 13 124.216 124.216 119.570 4.646 19821 3847 1 14 . 1 1 13 13 ARG HA H 13 3.619 3.619 3.924 -0.305 19821 3848 1 14 . 1 1 13 13 ARG CA C 13 57.717 57.717 59.253 -1.536 19821 3849 1 14 . 1 1 13 13 ARG H H 13 7.796 7.796 7.975 -0.179 19821 3850 1 14 . 1 1 14 14 LEU N N 14 118.657 118.657 120.517 -1.860 19821 3851 1 14 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.856 0.515 19821 3852 1 14 . 1 1 14 14 LEU CA C 14 56.641 56.641 58.475 -1.834 19821 3853 1 14 . 1 1 14 14 LEU H H 14 8.450 8.450 8.078 0.372 19821 3854 1 14 . 1 1 15 15 SER N N 15 116.873 116.873 113.510 3.363 19821 3855 1 14 . 1 1 15 15 SER HA H 15 3.949 3.949 3.981 -0.032 19821 3856 1 14 . 1 1 15 15 SER CA C 15 61.540 61.540 59.580 1.960 19821 3857 1 14 . 1 1 15 15 SER H H 15 7.864 7.864 7.525 0.339 19821 3858 1 14 . 1 1 16 16 ASN N N 16 118.994 118.994 116.615 2.379 19821 3859 1 14 . 1 1 16 16 ASN HA H 16 4.491 4.491 5.042 -0.551 19821 3860 1 14 . 1 1 16 16 ASN CA C 16 55.626 55.626 55.028 0.598 19821 3861 1 14 . 1 1 16 16 ASN H H 16 7.804 7.804 8.314 -0.510 19821 3862 1 14 . 1 1 17 17 ARG N N 17 117.557 117.557 117.896 -0.339 19821 3863 1 14 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.142 0.155 19821 3864 1 14 . 1 1 17 17 ARG CA C 17 54.610 54.610 58.338 -3.728 19821 3865 1 14 . 1 1 17 17 ARG H H 17 8.343 8.343 8.106 0.237 19821 3866 1 14 . 1 1 18 18 GLY N N 18 110.623 110.623 108.976 1.647 19821 3867 1 14 . 1 1 18 18 GLY CA C 18 44.455 44.455 46.898 -2.443 19821 3868 1 14 . 1 1 18 18 GLY H H 18 7.303 7.303 7.455 -0.152 19821 3869 1 14 . 1 1 19 19 CYS N N 19 117.667 117.667 117.853 -0.186 19821 3870 1 14 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.771 0.131 19821 3871 1 14 . 1 1 19 19 CYS CA C 19 58.254 58.254 57.167 1.087 19821 3872 1 14 . 1 1 19 19 CYS H H 19 7.950 7.950 8.162 -0.212 19821 3873 1 14 . 1 1 20 20 GLN N N 20 121.882 121.882 122.645 -0.763 19821 3874 1 14 . 1 1 20 20 GLN HA H 20 5.104 5.104 3.991 1.113 19821 3875 1 14 . 1 1 20 20 GLN CA C 20 53.714 53.714 57.798 -4.084 19821 3876 1 14 . 1 1 20 20 GLN H H 20 8.615 8.615 8.780 -0.165 19821 3877 1 14 . 1 1 21 21 THR N N 21 116.183 116.183 113.842 2.341 19821 3878 1 14 . 1 1 21 21 THR HA H 21 4.847 4.847 5.099 -0.252 19821 3879 1 14 . 1 1 21 21 THR CA C 21 60.763 60.763 60.417 0.346 19821 3880 1 14 . 1 1 21 21 THR H H 21 9.557 9.557 7.651 1.906 19821 3881 1 14 . 1 1 22 22 LEU N N 22 123.325 123.325 127.458 -4.133 19821 3882 1 14 . 1 1 22 22 LEU HA H 22 3.777 3.777 4.985 -1.208 19821 3883 1 14 . 1 1 22 22 LEU CA C 22 59.270 59.270 52.781 6.489 19821 3884 1 14 . 1 1 22 22 LEU H H 22 9.257 9.257 9.097 0.160 19821 3885 1 14 . 1 1 23 23 GLU N N 23 120.097 120.097 118.115 1.982 19821 3886 1 14 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.705 -0.782 19821 3887 1 14 . 1 1 23 23 GLU CA C 23 61.241 61.241 54.890 6.351 19821 3888 1 14 . 1 1 23 23 GLU H H 23 9.030 9.030 9.351 -0.321 19821 3889 1 14 . 1 1 24 24 GLU N N 24 122.438 122.438 121.640 0.798 19821 3890 1 14 . 1 1 24 24 GLU HA H 24 3.912 3.912 4.162 -0.250 19821 3891 1 14 . 1 1 24 24 GLU CA C 24 59.270 59.270 59.243 0.027 19821 3892 1 14 . 1 1 24 24 GLU H H 24 7.734 7.734 8.937 -1.203 19821 3893 1 14 . 1 1 25 25 LEU N N 25 123.263 123.263 120.875 2.388 19821 3894 1 14 . 1 1 25 25 LEU HA H 25 4.132 4.132 4.204 -0.072 19821 3895 1 14 . 1 1 25 25 LEU CA C 25 58.314 58.314 57.948 0.366 19821 3896 1 14 . 1 1 25 25 LEU H H 25 8.350 8.350 7.810 0.540 19821 3897 1 14 . 1 1 26 26 GLU N N 26 129.504 129.504 120.055 9.449 19821 3898 1 14 . 1 1 26 26 GLU HA H 26 3.601 3.601 4.075 -0.474 19821 3899 1 14 . 1 1 26 26 GLU CA C 26 60.942 60.942 59.332 1.610 19821 3900 1 14 . 1 1 26 26 GLU H H 26 9.362 9.362 7.871 1.491 19821 3901 1 14 . 1 1 27 27 GLU N N 27 121.392 121.392 118.127 3.265 19821 3902 1 14 . 1 1 27 27 GLU HA H 27 3.857 3.857 4.090 -0.233 19821 3903 1 14 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.328 0.061 19821 3904 1 14 . 1 1 27 27 GLU H H 27 7.741 7.741 7.890 -0.149 19821 3905 1 14 . 1 1 28 28 PHE N N 28 117.204 117.204 121.097 -3.893 19821 3906 1 14 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.143 0.154 19821 3907 1 14 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.413 -0.590 19821 3908 1 14 . 1 1 28 28 PHE H H 28 7.392 7.392 8.458 -1.066 19821 3909 1 14 . 1 1 29 29 THR N N 29 107.601 107.601 112.632 -5.031 19821 3910 1 14 . 1 1 29 29 THR HA H 29 3.472 3.472 4.112 -0.640 19821 3911 1 14 . 1 1 29 29 THR CA C 29 63.989 63.989 64.307 -0.318 19821 3912 1 14 . 1 1 29 29 THR H H 29 8.220 8.220 7.647 0.573 19821 3913 1 14 . 1 1 30 30 GLN N N 30 116.862 116.862 119.431 -2.569 19821 3914 1 14 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.118 -0.389 19821 3915 1 14 . 1 1 30 30 GLN CA C 30 57.478 57.478 58.905 -1.427 19821 3916 1 14 . 1 1 30 30 GLN H H 30 7.974 7.974 8.065 -0.091 19821 3917 1 14 . 1 1 31 31 ALA N N 31 122.778 122.778 118.389 4.389 19821 3918 1 14 . 1 1 31 31 ALA HA H 31 4.213 4.213 4.033 0.180 19821 3919 1 14 . 1 1 31 31 ALA CA C 31 51.265 51.265 52.892 -1.627 19821 3920 1 14 . 1 1 31 31 ALA H H 31 7.384 7.384 8.024 -0.640 19821 3921 1 14 . 1 1 32 32 LYS N N 32 121.107 121.107 117.625 3.482 19821 3922 1 14 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.923 0.136 19821 3923 1 14 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.555 -1.272 19821 3924 1 14 . 1 1 32 32 LYS H H 32 8.194 8.194 7.697 0.497 19821 3925 1 14 . 1 1 33 33 ARG N N 33 126.754 126.754 118.012 8.742 19821 3926 1 14 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.598 -0.329 19821 3927 1 14 . 1 1 33 33 ARG CA C 33 61.002 61.002 54.567 6.435 19821 3928 1 14 . 1 1 33 33 ARG H H 33 8.690 8.690 7.606 1.084 19821 3929 1 14 . 1 1 34 34 GLU N N 34 117.537 117.537 121.435 -3.898 19821 3930 1 14 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.287 -0.430 19821 3931 1 14 . 1 1 34 34 GLU CA C 34 60.619 60.619 56.531 4.088 19821 3932 1 14 . 1 1 34 34 GLU H H 34 9.236 9.236 8.518 0.718 19821 3933 1 14 . 1 1 35 35 VAL N N 35 121.054 121.054 123.348 -2.294 19821 3934 1 14 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.719 -0.045 19821 3935 1 14 . 1 1 35 35 VAL CA C 35 65.064 65.064 66.893 -1.829 19821 3936 1 14 . 1 1 35 35 VAL H H 35 6.681 6.681 8.838 -2.157 19821 3937 1 14 . 1 1 36 36 LEU N N 36 126.417 126.417 120.888 5.529 19821 3938 1 14 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.103 -0.484 19821 3939 1 14 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.772 1.020 19821 3940 1 14 . 1 1 36 36 LEU H H 36 8.140 8.140 8.602 -0.462 19821 3941 1 14 . 1 1 37 37 LEU N N 37 120.272 120.272 121.100 -0.828 19821 3942 1 14 . 1 1 37 37 LEU HA H 37 3.766 3.766 3.914 -0.148 19821 3943 1 14 . 1 1 37 37 LEU CA C 37 58.911 58.911 58.286 0.625 19821 3944 1 14 . 1 1 37 37 LEU H H 37 8.492 8.492 7.986 0.506 19821 3945 1 14 . 1 1 38 38 VAL N N 38 122.614 122.614 118.549 4.065 19821 3946 1 14 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.740 -0.139 19821 3947 1 14 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.195 1.721 19821 3948 1 14 . 1 1 38 38 VAL H H 38 7.508 7.508 7.796 -0.288 19821 3949 1 14 . 1 1 39 39 THR N N 39 120.141 120.141 113.157 6.984 19821 3950 1 14 . 1 1 39 39 THR HA H 39 3.678 3.678 3.816 -0.138 19821 3951 1 14 . 1 1 39 39 THR CA C 39 67.812 67.812 65.306 2.506 19821 3952 1 14 . 1 1 39 39 THR H H 39 7.626 7.626 8.098 -0.472 19821 3953 1 14 . 1 1 40 40 LEU N N 40 123.404 123.404 121.238 2.166 19821 3954 1 14 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.753 -0.124 19821 3955 1 14 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.655 -1.222 19821 3956 1 14 . 1 1 40 40 LEU H H 40 8.644 8.644 8.047 0.597 19821 3957 1 14 . 1 1 41 41 THR N N 41 119.278 119.278 116.448 2.830 19821 3958 1 14 . 1 1 41 41 THR HA H 41 3.839 3.839 4.033 -0.194 19821 3959 1 14 . 1 1 41 41 THR CA C 41 67.573 67.573 67.540 0.033 19821 3960 1 14 . 1 1 41 41 THR H H 41 8.169 8.169 7.552 0.617 19821 3961 1 14 . 1 1 42 42 ARG N N 42 124.625 124.625 120.661 3.964 19821 3962 1 14 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.882 0.122 19821 3963 1 14 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.304 0.563 19821 3964 1 14 . 1 1 42 42 ARG H H 42 7.748 7.748 8.474 -0.726 19821 3965 1 14 . 1 1 43 43 LEU N N 43 120.115 120.115 122.319 -2.204 19821 3966 1 14 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.157 -0.263 19821 3967 1 14 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.353 -2.218 19821 3968 1 14 . 1 1 43 43 LEU H H 43 7.963 7.963 8.423 -0.460 19821 3969 1 14 . 1 1 44 44 HIS N N 44 123.297 123.297 120.913 2.384 19821 3970 1 14 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.332 0.075 19821 3971 1 14 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.654 0.034 19821 3972 1 14 . 1 1 44 44 HIS H H 44 8.454 8.454 7.964 0.490 19821 3973 1 14 . 1 1 45 45 GLN N N 45 124.648 124.648 118.191 6.457 19821 3974 1 14 . 1 1 45 45 GLN HA H 45 3.821 3.821 3.987 -0.166 19821 3975 1 14 . 1 1 45 45 GLN CA C 45 59.270 59.270 58.952 0.318 19821 3976 1 14 . 1 1 45 45 GLN H H 45 8.626 8.626 8.455 0.171 19821 3977 1 14 . 1 1 46 46 ARG N N 46 117.047 117.047 120.700 -3.653 19821 3978 1 14 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.441 -0.272 19821 3979 1 14 . 1 1 46 46 ARG CA C 46 56.641 56.641 59.426 -2.785 19821 3980 1 14 . 1 1 46 46 ARG H H 46 7.628 7.628 8.296 -0.668 19821 3981 1 14 . 1 1 47 47 GLY N N 47 109.401 109.401 106.977 2.424 19821 3982 1 14 . 1 1 47 47 GLY CA C 47 46.128 46.128 47.370 -1.242 19821 3983 1 14 . 1 1 47 47 GLY H H 47 7.763 7.763 8.329 -0.566 19821 3984 1 14 . 1 1 48 48 VAL N N 48 118.932 118.932 117.188 1.744 19821 3985 1 14 . 1 1 48 48 VAL HA H 48 3.801 3.801 3.985 -0.184 19821 3986 1 14 . 1 1 48 48 VAL CA C 48 64.168 64.168 63.301 0.867 19821 3987 1 14 . 1 1 48 48 VAL H H 48 7.787 7.787 7.906 -0.119 19821 3988 1 14 . 1 1 49 49 ILE N N 49 110.494 110.494 117.211 -6.717 19821 3989 1 14 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.805 1.409 19821 3990 1 14 . 1 1 49 49 ILE CA C 49 58.075 58.075 61.399 -3.324 19821 3991 1 14 . 1 1 49 49 ILE H H 49 6.766 6.766 7.873 -1.107 19821 3992 1 14 . 1 1 50 50 TYR N N 50 120.330 120.330 120.750 -0.420 19821 3993 1 14 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.899 -0.015 19821 3994 1 14 . 1 1 50 50 TYR CA C 50 55.805 55.805 60.501 -4.696 19821 3995 1 14 . 1 1 50 50 TYR H H 50 9.025 9.025 8.546 0.479 19821 3996 1 14 . 1 1 51 51 ARG N N 51 120.608 120.608 112.705 7.903 19821 3997 1 14 . 1 1 51 51 ARG HA H 51 4.957 4.957 5.287 -0.330 19821 3998 1 14 . 1 1 51 51 ARG CA C 51 53.834 53.834 53.428 0.406 19821 3999 1 14 . 1 1 51 51 ARG H H 51 8.511 8.511 7.483 1.028 19821 4000 1 14 . 1 1 52 52 LYS N N 52 121.992 121.992 116.950 5.042 19821 4001 1 14 . 1 1 52 52 LYS HA H 52 4.371 4.371 5.376 -1.005 19821 4002 1 14 . 1 1 52 52 LYS CA C 52 55.626 55.626 54.074 1.552 19821 4003 1 14 . 1 1 52 52 LYS H H 52 8.324 8.324 9.067 -0.743 19821 4004 1 14 . 1 1 53 53 TRP N N 53 121.803 121.803 120.534 1.269 19821 4005 1 14 . 1 1 53 53 TRP HA H 53 4.996 4.996 5.417 -0.421 19821 4006 1 14 . 1 1 53 53 TRP CA C 53 56.462 56.462 55.182 1.280 19821 4007 1 14 . 1 1 53 53 TRP H H 53 8.457 8.457 8.608 -0.151 19821 4008 1 14 . 1 1 54 54 ARG N N 54 127.059 127.059 118.601 8.458 19821 4009 1 14 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.553 -0.091 19821 4010 1 14 . 1 1 54 54 ARG CA C 54 55.088 55.088 54.663 0.425 19821 4011 1 14 . 1 1 54 54 ARG H H 54 9.555 9.555 8.169 1.386 19821 4012 1 14 . 1 1 55 55 HIS N N 55 127.930 127.930 119.897 8.033 19821 4013 1 14 . 1 1 55 55 HIS HA H 55 5.089 5.089 4.936 0.153 19821 4014 1 14 . 1 1 55 55 HIS CA C 55 55.984 55.984 55.674 0.310 19821 4015 1 14 . 1 1 55 55 HIS H H 55 9.019 9.019 8.727 0.292 19821 4016 1 14 . 1 1 56 56 PHE N N 56 125.912 125.912 125.381 0.531 19821 4017 1 14 . 1 1 56 56 PHE HA H 56 4.627 4.627 4.988 -0.361 19821 4018 1 14 . 1 1 56 56 PHE CA C 56 58.195 58.195 56.657 1.538 19821 4019 1 14 . 1 1 56 56 PHE H H 56 8.707 8.707 8.810 -0.103 19821 4020 1 14 . 1 1 57 57 SER N N 57 124.434 124.434 123.652 0.782 19821 4021 1 14 . 1 1 57 57 SER HA H 57 3.727 3.727 4.561 -0.834 19821 4022 1 14 . 1 1 57 57 SER CA C 57 58.433 58.433 59.934 -1.501 19821 4023 1 14 . 1 1 57 57 SER H H 57 8.829 8.829 8.939 -0.110 19821 4024 1 14 . 1 1 58 58 GLY N N 58 108.465 108.465 116.642 -8.177 19821 4025 1 14 . 1 1 58 58 GLY CA C 58 45.769 45.769 45.309 0.460 19821 4026 1 14 . 1 1 58 58 GLY H H 58 8.456 8.456 8.697 -0.241 19821 4027 1 14 . 1 1 59 59 ARG N N 59 122.424 122.424 127.272 -4.848 19821 4028 1 14 . 1 1 59 59 ARG HA H 59 4.381 4.381 3.752 0.629 19821 4029 1 14 . 1 1 59 59 ARG CA C 59 54.849 54.849 57.046 -2.197 19821 4030 1 14 . 1 1 59 59 ARG H H 59 7.803 7.803 8.868 -1.065 19821 4031 1 14 . 1 1 60 60 LYS N N 60 121.613 121.613 117.241 4.372 19821 4032 1 14 . 1 1 60 60 LYS HA H 60 5.041 5.041 4.023 1.018 19821 4033 1 14 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.049 -0.927 19821 4034 1 14 . 1 1 60 60 LYS H H 60 7.912 7.912 8.072 -0.160 19821 4035 1 14 . 1 1 61 61 TYR N N 61 122.435 122.435 120.516 1.919 19821 4036 1 14 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.743 0.159 19821 4037 1 14 . 1 1 61 61 TYR CA C 61 56.522 56.522 56.563 -0.041 19821 4038 1 14 . 1 1 61 61 TYR H H 61 8.883 8.883 7.616 1.267 19821 4039 1 14 . 1 1 62 62 ARG N N 62 127.580 127.580 123.729 3.851 19821 4040 1 14 . 1 1 62 62 ARG HA H 62 3.766 3.766 4.951 -1.185 19821 4041 1 14 . 1 1 62 62 ARG CA C 62 56.402 56.402 56.077 0.325 19821 4042 1 14 . 1 1 62 62 ARG H H 62 9.197 9.197 8.625 0.572 19821 4043 1 14 . 1 1 63 63 GLU N N 63 124.048 124.048 125.213 -1.165 19821 4044 1 14 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.598 -0.172 19821 4045 1 14 . 1 1 63 63 GLU CA C 63 53.834 53.834 54.774 -0.940 19821 4046 1 14 . 1 1 63 63 GLU H H 63 8.525 8.525 9.322 -0.797 19821 4047 1 14 . 1 1 64 64 TYR N N 64 121.860 121.860 127.622 -5.762 19821 4048 1 14 . 1 1 64 64 TYR HA H 64 4.536 4.536 4.247 0.289 19821 4049 1 14 . 1 1 64 64 TYR CA C 64 57.358 57.358 57.015 0.343 19821 4050 1 14 . 1 1 64 64 TYR H H 64 8.578 8.578 7.840 0.738 19821 4051 1 14 . 1 1 65 65 CYS N N 65 119.180 119.180 123.392 -4.212 19821 4052 1 14 . 1 1 65 65 CYS HA H 65 4.756 4.756 4.644 0.112 19821 4053 1 14 . 1 1 65 65 CYS CA C 65 53.177 53.177 57.559 -4.382 19821 4054 1 14 . 1 1 65 65 CYS H H 65 8.313 8.313 8.093 0.220 19821 4055 1 14 . 1 1 66 66 LEU N N 66 125.298 125.298 119.992 5.306 19821 4056 1 14 . 1 1 66 66 LEU HA H 66 4.151 4.151 5.052 -0.901 19821 4057 1 14 . 1 1 66 66 LEU CA C 66 55.805 55.805 53.257 2.548 19821 4058 1 14 . 1 1 66 66 LEU H H 66 8.917 8.917 8.571 0.346 19821 4059 1 14 . 1 1 67 67 LYS N N 67 126.834 126.834 122.039 4.795 19821 4060 1 14 . 1 1 67 67 LYS HA H 67 4.169 4.169 5.221 -1.052 19821 4061 1 14 . 1 1 67 67 LYS CA C 67 57.478 57.478 53.418 4.060 19821 4062 1 14 . 1 1 67 67 LYS H H 67 7.966 7.966 8.851 -0.885 19821 4063 1 14 . 1 1 68 68 HIS N N 68 122.718 122.718 125.176 -2.458 19821 4064 1 14 . 1 1 68 68 HIS HA H 68 4.583 4.583 4.522 0.061 19821 4065 1 14 . 1 1 68 68 HIS CA C 68 55.566 55.566 56.824 -1.258 19821 4066 1 14 . 1 1 68 68 HIS H H 68 8.648 8.648 8.512 0.136 19821 4067 1 14 . 1 1 69 69 ARG N N 69 125.371 125.371 122.891 2.480 19821 4068 1 14 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.280 -0.187 19821 4069 1 14 . 1 1 69 69 ARG CA C 69 56.940 56.940 57.182 -0.242 19821 4070 1 14 . 1 1 69 69 ARG H H 69 8.334 8.334 8.628 -0.294 19821 4071 1 14 . 1 1 70 70 ASP N N 70 123.332 123.332 119.677 3.655 19821 4072 1 14 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.906 -0.479 19821 4073 1 14 . 1 1 70 70 ASP CA C 70 54.908 54.908 52.498 2.409 19821 4074 1 14 . 1 1 70 70 ASP H H 70 8.400 8.400 8.212 0.188 19821 4075 1 14 . 1 1 71 71 GLU N N 71 123.365 123.365 123.195 0.170 19821 4076 1 14 . 1 1 71 71 GLU HA H 71 4.077 4.077 3.985 0.092 19821 4077 1 14 . 1 1 71 71 GLU CA C 71 57.484 57.484 60.813 -3.329 19821 4078 1 14 . 1 1 71 71 GLU H H 71 8.300 8.300 8.560 -0.260 19821 4079 1 14 . 1 1 72 72 LEU N N 72 123.444 123.444 119.161 4.283 19821 4080 1 14 . 1 1 72 72 LEU HA H 72 4.114 4.114 4.066 0.048 19821 4081 1 14 . 1 1 72 72 LEU CA C 72 55.865 55.865 58.210 -2.345 19821 4082 1 14 . 1 1 72 72 LEU H H 72 8.038 8.038 8.491 -0.453 19821 4083 1 14 . 1 1 73 73 ALA N N 73 125.204 125.204 122.852 2.352 19821 4084 1 14 . 1 1 73 73 ALA HA H 73 4.041 4.041 4.241 -0.200 19821 4085 1 14 . 1 1 73 73 ALA CA C 73 53.475 53.475 54.110 -0.635 19821 4086 1 14 . 1 1 73 73 ALA H H 73 7.890 7.890 8.037 -0.147 19821 4087 1 14 . 1 1 74 74 ASP N N 74 120.369 120.369 121.233 -0.864 19821 4088 1 14 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.192 0.215 19821 4089 1 14 . 1 1 74 74 ASP CA C 74 54.790 54.790 57.355 -2.565 19821 4090 1 14 . 1 1 74 74 ASP H H 74 7.980 7.980 8.541 -0.561 19821 4091 1 14 . 1 1 75 75 LEU N N 75 123.629 123.629 118.849 4.780 19821 4092 1 14 . 1 1 75 75 LEU HA H 75 3.978 3.978 3.817 0.161 19821 4093 1 14 . 1 1 75 75 LEU CA C 75 56.343 56.343 57.474 -1.131 19821 4094 1 14 . 1 1 75 75 LEU H H 75 7.902 7.902 8.103 -0.201 19821 4095 1 14 . 1 1 76 76 GLU N N 76 120.501 120.501 118.867 1.634 19821 4096 1 14 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.106 -0.157 19821 4097 1 14 . 1 1 76 76 GLU CA C 76 57.239 57.239 59.101 -1.862 19821 4098 1 14 . 1 1 76 76 GLU H H 76 7.994 7.994 7.532 0.462 19821 4099 1 14 . 1 1 77 77 HIS N N 77 119.010 119.010 118.023 0.987 19821 4100 1 14 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.364 0.035 19821 4101 1 14 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.322 -2.278 19821 4102 1 14 . 1 1 77 77 HIS H H 77 7.959 7.959 8.040 -0.081 19821 4103 1 15 . 1 1 4 4 LEU N N 4 125.414 125.414 121.353 4.061 19821 4104 1 15 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.266 0.086 19821 4105 1 15 . 1 1 4 4 LEU CA C 4 54.670 54.670 56.374 -1.704 19821 4106 1 15 . 1 1 4 4 LEU H H 4 7.844 7.844 8.026 -0.182 19821 4107 1 15 . 1 1 5 5 SER N N 5 120.078 120.078 113.371 6.707 19821 4108 1 15 . 1 1 5 5 SER HA H 5 4.279 4.279 4.304 -0.025 19821 4109 1 15 . 1 1 5 5 SER CA C 5 57.119 57.119 58.676 -1.557 19821 4110 1 15 . 1 1 5 5 SER H H 5 8.615 8.615 8.042 0.573 19821 4111 1 15 . 1 1 6 6 LEU N N 6 124.468 124.468 119.274 5.194 19821 4112 1 15 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.289 -0.366 19821 4113 1 15 . 1 1 6 6 LEU CA C 6 58.493 58.493 53.968 4.525 19821 4114 1 15 . 1 1 6 6 LEU H H 6 8.719 8.719 7.427 1.292 19821 4115 1 15 . 1 1 7 7 THR N N 7 115.018 115.018 115.189 -0.171 19821 4116 1 15 . 1 1 7 7 THR HA H 7 3.344 3.344 4.287 -0.943 19821 4117 1 15 . 1 1 7 7 THR CA C 7 68.469 68.469 61.772 6.697 19821 4118 1 15 . 1 1 7 7 THR H H 7 7.986 7.986 8.882 -0.896 19821 4119 1 15 . 1 1 8 8 GLN N N 8 120.628 120.628 120.669 -0.041 19821 4120 1 15 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.105 -0.376 19821 4121 1 15 . 1 1 8 8 GLN CA C 8 59.628 59.628 59.205 0.423 19821 4122 1 15 . 1 1 8 8 GLN H H 8 7.398 7.398 8.846 -1.448 19821 4123 1 15 . 1 1 9 9 LEU N N 9 121.103 121.103 122.279 -1.176 19821 4124 1 15 . 1 1 9 9 LEU HA H 9 3.959 3.959 3.952 0.007 19821 4125 1 15 . 1 1 9 9 LEU CA C 9 58.553 58.553 59.832 -1.279 19821 4126 1 15 . 1 1 9 9 LEU H H 9 8.324 8.324 8.111 0.213 19821 4127 1 15 . 1 1 10 10 ILE N N 10 119.788 119.788 121.990 -2.202 19821 4128 1 15 . 1 1 10 10 ILE HA H 10 3.226 3.226 3.864 -0.638 19821 4129 1 15 . 1 1 10 10 ILE CA C 10 66.319 66.319 64.429 1.890 19821 4130 1 15 . 1 1 10 10 ILE H H 10 8.149 8.149 7.788 0.361 19821 4131 1 15 . 1 1 11 11 LEU N N 11 119.842 119.842 121.577 -1.735 19821 4132 1 15 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.157 -0.465 19821 4133 1 15 . 1 1 11 11 LEU CA C 11 58.911 58.911 57.843 1.068 19821 4134 1 15 . 1 1 11 11 LEU H H 11 7.847 7.847 8.278 -0.431 19821 4135 1 15 . 1 1 12 12 ILE N N 12 123.069 123.069 119.637 3.432 19821 4136 1 15 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.584 -0.065 19821 4137 1 15 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.698 -0.455 19821 4138 1 15 . 1 1 12 12 ILE H H 12 8.323 8.323 7.877 0.446 19821 4139 1 15 . 1 1 13 13 ARG N N 13 124.216 124.216 119.296 4.920 19821 4140 1 15 . 1 1 13 13 ARG HA H 13 3.619 3.619 3.944 -0.325 19821 4141 1 15 . 1 1 13 13 ARG CA C 13 57.717 57.717 59.243 -1.526 19821 4142 1 15 . 1 1 13 13 ARG H H 13 7.796 7.796 7.697 0.099 19821 4143 1 15 . 1 1 14 14 LEU N N 14 118.657 118.657 120.058 -1.401 19821 4144 1 15 . 1 1 14 14 LEU HA H 14 4.371 4.371 4.043 0.328 19821 4145 1 15 . 1 1 14 14 LEU CA C 14 56.641 56.641 56.615 0.026 19821 4146 1 15 . 1 1 14 14 LEU H H 14 8.450 8.450 8.330 0.120 19821 4147 1 15 . 1 1 15 15 SER N N 15 116.873 116.873 115.689 1.184 19821 4148 1 15 . 1 1 15 15 SER HA H 15 3.949 3.949 4.047 -0.098 19821 4149 1 15 . 1 1 15 15 SER CA C 15 61.540 61.540 60.455 1.085 19821 4150 1 15 . 1 1 15 15 SER H H 15 7.864 7.864 7.852 0.012 19821 4151 1 15 . 1 1 16 16 ASN N N 16 118.994 118.994 117.045 1.949 19821 4152 1 15 . 1 1 16 16 ASN HA H 16 4.491 4.491 4.585 -0.094 19821 4153 1 15 . 1 1 16 16 ASN CA C 16 55.626 55.626 55.824 -0.198 19821 4154 1 15 . 1 1 16 16 ASN H H 16 7.804 7.804 8.214 -0.410 19821 4155 1 15 . 1 1 17 17 ARG N N 17 117.557 117.557 119.058 -1.501 19821 4156 1 15 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.070 0.227 19821 4157 1 15 . 1 1 17 17 ARG CA C 17 54.610 54.610 58.679 -4.069 19821 4158 1 15 . 1 1 17 17 ARG H H 17 8.343 8.343 7.702 0.641 19821 4159 1 15 . 1 1 18 18 GLY N N 18 110.623 110.623 108.557 2.066 19821 4160 1 15 . 1 1 18 18 GLY CA C 18 44.455 44.455 47.109 -2.654 19821 4161 1 15 . 1 1 18 18 GLY H H 18 7.303 7.303 7.781 -0.478 19821 4162 1 15 . 1 1 19 19 CYS N N 19 117.667 117.667 117.645 0.022 19821 4163 1 15 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.731 0.171 19821 4164 1 15 . 1 1 19 19 CYS CA C 19 58.254 58.254 57.308 0.946 19821 4165 1 15 . 1 1 19 19 CYS H H 19 7.950 7.950 8.051 -0.101 19821 4166 1 15 . 1 1 20 20 GLN N N 20 121.882 121.882 122.810 -0.928 19821 4167 1 15 . 1 1 20 20 GLN HA H 20 5.104 5.104 4.009 1.095 19821 4168 1 15 . 1 1 20 20 GLN CA C 20 53.714 53.714 57.720 -4.006 19821 4169 1 15 . 1 1 20 20 GLN H H 20 8.615 8.615 8.738 -0.123 19821 4170 1 15 . 1 1 21 21 THR N N 21 116.183 116.183 113.616 2.567 19821 4171 1 15 . 1 1 21 21 THR HA H 21 4.847 4.847 5.372 -0.525 19821 4172 1 15 . 1 1 21 21 THR CA C 21 60.763 60.763 59.995 0.768 19821 4173 1 15 . 1 1 21 21 THR H H 21 9.557 9.557 7.674 1.883 19821 4174 1 15 . 1 1 22 22 LEU N N 22 123.325 123.325 126.310 -2.985 19821 4175 1 15 . 1 1 22 22 LEU HA H 22 3.777 3.777 4.913 -1.136 19821 4176 1 15 . 1 1 22 22 LEU CA C 22 59.270 59.270 52.987 6.282 19821 4177 1 15 . 1 1 22 22 LEU H H 22 9.257 9.257 9.089 0.168 19821 4178 1 15 . 1 1 23 23 GLU N N 23 120.097 120.097 124.069 -3.972 19821 4179 1 15 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.575 -0.652 19821 4180 1 15 . 1 1 23 23 GLU CA C 23 61.241 61.241 57.999 3.242 19821 4181 1 15 . 1 1 23 23 GLU H H 23 9.030 9.030 9.357 -0.327 19821 4182 1 15 . 1 1 24 24 GLU N N 24 122.438 122.438 127.436 -4.998 19821 4183 1 15 . 1 1 24 24 GLU HA H 24 3.912 3.912 3.989 -0.077 19821 4184 1 15 . 1 1 24 24 GLU CA C 24 59.270 59.270 60.644 -1.374 19821 4185 1 15 . 1 1 24 24 GLU H H 24 7.734 7.734 9.118 -1.384 19821 4186 1 15 . 1 1 25 25 LEU N N 25 123.263 123.263 118.378 4.885 19821 4187 1 15 . 1 1 25 25 LEU HA H 25 4.132 4.132 4.016 0.116 19821 4188 1 15 . 1 1 25 25 LEU CA C 25 58.314 58.314 57.928 0.385 19821 4189 1 15 . 1 1 25 25 LEU H H 25 8.350 8.350 8.711 -0.361 19821 4190 1 15 . 1 1 26 26 GLU N N 26 129.504 129.504 120.489 9.015 19821 4191 1 15 . 1 1 26 26 GLU HA H 26 3.601 3.601 4.064 -0.463 19821 4192 1 15 . 1 1 26 26 GLU CA C 26 60.942 60.942 59.087 1.855 19821 4193 1 15 . 1 1 26 26 GLU H H 26 9.362 9.362 7.700 1.662 19821 4194 1 15 . 1 1 27 27 GLU N N 27 121.392 121.392 120.573 0.819 19821 4195 1 15 . 1 1 27 27 GLU HA H 27 3.857 3.857 4.102 -0.245 19821 4196 1 15 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.816 -0.427 19821 4197 1 15 . 1 1 27 27 GLU H H 27 7.741 7.741 8.586 -0.845 19821 4198 1 15 . 1 1 28 28 PHE N N 28 117.204 117.204 120.028 -2.824 19821 4199 1 15 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.116 0.181 19821 4200 1 15 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.264 -0.441 19821 4201 1 15 . 1 1 28 28 PHE H H 28 7.392 7.392 8.307 -0.915 19821 4202 1 15 . 1 1 29 29 THR N N 29 107.601 107.601 113.254 -5.653 19821 4203 1 15 . 1 1 29 29 THR HA H 29 3.472 3.472 4.097 -0.625 19821 4204 1 15 . 1 1 29 29 THR CA C 29 63.989 63.989 64.396 -0.407 19821 4205 1 15 . 1 1 29 29 THR H H 29 8.220 8.220 7.791 0.429 19821 4206 1 15 . 1 1 30 30 GLN N N 30 116.862 116.862 119.989 -3.127 19821 4207 1 15 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.088 -0.359 19821 4208 1 15 . 1 1 30 30 GLN CA C 30 57.478 57.478 58.616 -1.138 19821 4209 1 15 . 1 1 30 30 GLN H H 30 7.974 7.974 8.085 -0.111 19821 4210 1 15 . 1 1 31 31 ALA N N 31 122.778 122.778 116.911 5.867 19821 4211 1 15 . 1 1 31 31 ALA HA H 31 4.213 4.213 3.981 0.232 19821 4212 1 15 . 1 1 31 31 ALA CA C 31 51.265 51.265 52.854 -1.589 19821 4213 1 15 . 1 1 31 31 ALA H H 31 7.384 7.384 8.039 -0.655 19821 4214 1 15 . 1 1 32 32 LYS N N 32 121.107 121.107 117.783 3.324 19821 4215 1 15 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.939 0.120 19821 4216 1 15 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.309 -1.026 19821 4217 1 15 . 1 1 32 32 LYS H H 32 8.194 8.194 7.887 0.307 19821 4218 1 15 . 1 1 33 33 ARG N N 33 126.754 126.754 118.018 8.736 19821 4219 1 15 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.582 -0.313 19821 4220 1 15 . 1 1 33 33 ARG CA C 33 61.002 61.002 54.538 6.464 19821 4221 1 15 . 1 1 33 33 ARG H H 33 8.690 8.690 7.594 1.096 19821 4222 1 15 . 1 1 34 34 GLU N N 34 117.537 117.537 120.718 -3.181 19821 4223 1 15 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.159 -0.302 19821 4224 1 15 . 1 1 34 34 GLU CA C 34 60.619 60.619 56.743 3.876 19821 4225 1 15 . 1 1 34 34 GLU H H 34 9.236 9.236 8.571 0.665 19821 4226 1 15 . 1 1 35 35 VAL N N 35 121.054 121.054 127.348 -6.294 19821 4227 1 15 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.669 0.005 19821 4228 1 15 . 1 1 35 35 VAL CA C 35 65.064 65.064 66.709 -1.645 19821 4229 1 15 . 1 1 35 35 VAL H H 35 6.681 6.681 8.941 -2.260 19821 4230 1 15 . 1 1 36 36 LEU N N 36 126.417 126.417 118.912 7.505 19821 4231 1 15 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.055 -0.436 19821 4232 1 15 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.996 0.796 19821 4233 1 15 . 1 1 36 36 LEU H H 36 8.140 8.140 8.655 -0.515 19821 4234 1 15 . 1 1 37 37 LEU N N 37 120.272 120.272 120.979 -0.707 19821 4235 1 15 . 1 1 37 37 LEU HA H 37 3.766 3.766 3.927 -0.161 19821 4236 1 15 . 1 1 37 37 LEU CA C 37 58.911 58.911 58.282 0.629 19821 4237 1 15 . 1 1 37 37 LEU H H 37 8.492 8.492 7.347 1.145 19821 4238 1 15 . 1 1 38 38 VAL N N 38 122.614 122.614 118.525 4.089 19821 4239 1 15 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.725 -0.124 19821 4240 1 15 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.347 1.569 19821 4241 1 15 . 1 1 38 38 VAL H H 38 7.508 7.508 7.763 -0.255 19821 4242 1 15 . 1 1 39 39 THR N N 39 120.141 120.141 112.570 7.571 19821 4243 1 15 . 1 1 39 39 THR HA H 39 3.678 3.678 3.891 -0.213 19821 4244 1 15 . 1 1 39 39 THR CA C 39 67.812 67.812 65.042 2.770 19821 4245 1 15 . 1 1 39 39 THR H H 39 7.626 7.626 7.992 -0.366 19821 4246 1 15 . 1 1 40 40 LEU N N 40 123.404 123.404 121.661 1.743 19821 4247 1 15 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.730 -0.101 19821 4248 1 15 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.723 -1.290 19821 4249 1 15 . 1 1 40 40 LEU H H 40 8.644 8.644 7.763 0.881 19821 4250 1 15 . 1 1 41 41 THR N N 41 119.278 119.278 116.148 3.130 19821 4251 1 15 . 1 1 41 41 THR HA H 41 3.839 3.839 4.029 -0.190 19821 4252 1 15 . 1 1 41 41 THR CA C 41 67.573 67.573 67.505 0.068 19821 4253 1 15 . 1 1 41 41 THR H H 41 8.169 8.169 7.458 0.711 19821 4254 1 15 . 1 1 42 42 ARG N N 42 124.625 124.625 120.512 4.113 19821 4255 1 15 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.829 0.175 19821 4256 1 15 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.224 0.643 19821 4257 1 15 . 1 1 42 42 ARG H H 42 7.748 7.748 8.059 -0.311 19821 4258 1 15 . 1 1 43 43 LEU N N 43 120.115 120.115 122.516 -2.401 19821 4259 1 15 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.116 -0.222 19821 4260 1 15 . 1 1 43 43 LEU CA C 43 58.135 58.135 59.943 -1.808 19821 4261 1 15 . 1 1 43 43 LEU H H 43 7.963 7.963 8.458 -0.495 19821 4262 1 15 . 1 1 44 44 HIS N N 44 123.297 123.297 120.662 2.635 19821 4263 1 15 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.315 0.092 19821 4264 1 15 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.610 0.078 19821 4265 1 15 . 1 1 44 44 HIS H H 44 8.454 8.454 7.849 0.605 19821 4266 1 15 . 1 1 45 45 GLN N N 45 124.648 124.648 118.655 5.993 19821 4267 1 15 . 1 1 45 45 GLN HA H 45 3.821 3.821 3.972 -0.151 19821 4268 1 15 . 1 1 45 45 GLN CA C 45 59.270 59.270 59.091 0.179 19821 4269 1 15 . 1 1 45 45 GLN H H 45 8.626 8.626 8.550 0.076 19821 4270 1 15 . 1 1 46 46 ARG N N 46 117.047 117.047 120.173 -3.126 19821 4271 1 15 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.409 -0.240 19821 4272 1 15 . 1 1 46 46 ARG CA C 46 56.641 56.641 59.071 -2.430 19821 4273 1 15 . 1 1 46 46 ARG H H 46 7.628 7.628 8.368 -0.740 19821 4274 1 15 . 1 1 47 47 GLY N N 47 109.401 109.401 107.654 1.747 19821 4275 1 15 . 1 1 47 47 GLY CA C 47 46.128 46.128 47.347 -1.219 19821 4276 1 15 . 1 1 47 47 GLY H H 47 7.763 7.763 8.235 -0.472 19821 4277 1 15 . 1 1 48 48 VAL N N 48 118.932 118.932 115.876 3.056 19821 4278 1 15 . 1 1 48 48 VAL HA H 48 3.801 3.801 4.102 -0.301 19821 4279 1 15 . 1 1 48 48 VAL CA C 48 64.168 64.168 61.969 2.199 19821 4280 1 15 . 1 1 48 48 VAL H H 48 7.787 7.787 7.645 0.142 19821 4281 1 15 . 1 1 49 49 ILE N N 49 110.494 110.494 118.378 -7.884 19821 4282 1 15 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.858 1.356 19821 4283 1 15 . 1 1 49 49 ILE CA C 49 58.075 58.075 61.520 -3.445 19821 4284 1 15 . 1 1 49 49 ILE H H 49 6.766 6.766 7.991 -1.225 19821 4285 1 15 . 1 1 50 50 TYR N N 50 120.330 120.330 120.343 -0.013 19821 4286 1 15 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.446 0.438 19821 4287 1 15 . 1 1 50 50 TYR CA C 50 55.805 55.805 61.306 -5.501 19821 4288 1 15 . 1 1 50 50 TYR H H 50 9.025 9.025 8.508 0.517 19821 4289 1 15 . 1 1 51 51 ARG N N 51 120.608 120.608 111.816 8.792 19821 4290 1 15 . 1 1 51 51 ARG HA H 51 4.957 4.957 5.186 -0.229 19821 4291 1 15 . 1 1 51 51 ARG CA C 51 53.834 53.834 53.435 0.398 19821 4292 1 15 . 1 1 51 51 ARG H H 51 8.511 8.511 7.413 1.098 19821 4293 1 15 . 1 1 52 52 LYS N N 52 121.992 121.992 122.993 -1.001 19821 4294 1 15 . 1 1 52 52 LYS HA H 52 4.371 4.371 5.023 -0.652 19821 4295 1 15 . 1 1 52 52 LYS CA C 52 55.626 55.626 54.624 1.002 19821 4296 1 15 . 1 1 52 52 LYS H H 52 8.324 8.324 9.165 -0.841 19821 4297 1 15 . 1 1 53 53 TRP N N 53 121.803 121.803 126.105 -4.302 19821 4298 1 15 . 1 1 53 53 TRP HA H 53 4.996 4.996 5.097 -0.101 19821 4299 1 15 . 1 1 53 53 TRP CA C 53 56.462 56.462 54.532 1.930 19821 4300 1 15 . 1 1 53 53 TRP H H 53 8.457 8.457 7.713 0.744 19821 4301 1 15 . 1 1 54 54 ARG N N 54 127.059 127.059 119.293 7.766 19821 4302 1 15 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.588 -0.126 19821 4303 1 15 . 1 1 54 54 ARG CA C 54 55.088 55.088 54.246 0.842 19821 4304 1 15 . 1 1 54 54 ARG H H 54 9.555 9.555 8.144 1.411 19821 4305 1 15 . 1 1 55 55 HIS N N 55 127.930 127.930 119.863 8.067 19821 4306 1 15 . 1 1 55 55 HIS HA H 55 5.089 5.089 5.113 -0.024 19821 4307 1 15 . 1 1 55 55 HIS CA C 55 55.984 55.984 55.211 0.773 19821 4308 1 15 . 1 1 55 55 HIS H H 55 9.019 9.019 8.809 0.210 19821 4309 1 15 . 1 1 56 56 PHE N N 56 125.912 125.912 125.144 0.768 19821 4310 1 15 . 1 1 56 56 PHE HA H 56 4.627 4.627 4.924 -0.297 19821 4311 1 15 . 1 1 56 56 PHE CA C 56 58.195 58.195 56.871 1.324 19821 4312 1 15 . 1 1 56 56 PHE H H 56 8.707 8.707 8.764 -0.057 19821 4313 1 15 . 1 1 57 57 SER N N 57 124.434 124.434 122.789 1.645 19821 4314 1 15 . 1 1 57 57 SER HA H 57 3.727 3.727 5.119 -1.392 19821 4315 1 15 . 1 1 57 57 SER CA C 57 58.433 58.433 58.753 -0.320 19821 4316 1 15 . 1 1 57 57 SER H H 57 8.829 8.829 8.853 -0.024 19821 4317 1 15 . 1 1 58 58 GLY N N 58 108.465 108.465 115.722 -7.257 19821 4318 1 15 . 1 1 58 58 GLY CA C 58 45.769 45.769 45.462 0.308 19821 4319 1 15 . 1 1 58 58 GLY H H 58 8.456 8.456 8.830 -0.374 19821 4320 1 15 . 1 1 59 59 ARG N N 59 122.424 122.424 127.034 -4.610 19821 4321 1 15 . 1 1 59 59 ARG HA H 59 4.381 4.381 3.730 0.651 19821 4322 1 15 . 1 1 59 59 ARG CA C 59 54.849 54.849 56.308 -1.459 19821 4323 1 15 . 1 1 59 59 ARG H H 59 7.803 7.803 8.823 -1.020 19821 4324 1 15 . 1 1 60 60 LYS N N 60 121.613 121.613 116.842 4.771 19821 4325 1 15 . 1 1 60 60 LYS HA H 60 5.041 5.041 4.025 1.016 19821 4326 1 15 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.124 -1.002 19821 4327 1 15 . 1 1 60 60 LYS H H 60 7.912 7.912 7.977 -0.065 19821 4328 1 15 . 1 1 61 61 TYR N N 61 122.435 122.435 120.580 1.855 19821 4329 1 15 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.650 0.252 19821 4330 1 15 . 1 1 61 61 TYR CA C 61 56.522 56.522 56.402 0.120 19821 4331 1 15 . 1 1 61 61 TYR H H 61 8.883 8.883 7.768 1.115 19821 4332 1 15 . 1 1 62 62 ARG N N 62 127.580 127.580 121.996 5.584 19821 4333 1 15 . 1 1 62 62 ARG HA H 62 3.766 3.766 5.035 -1.269 19821 4334 1 15 . 1 1 62 62 ARG CA C 62 56.402 56.402 55.584 0.819 19821 4335 1 15 . 1 1 62 62 ARG H H 62 9.197 9.197 8.387 0.810 19821 4336 1 15 . 1 1 63 63 GLU N N 63 124.048 124.048 122.892 1.156 19821 4337 1 15 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.564 -0.138 19821 4338 1 15 . 1 1 63 63 GLU CA C 63 53.834 53.834 55.322 -1.488 19821 4339 1 15 . 1 1 63 63 GLU H H 63 8.525 8.525 9.279 -0.754 19821 4340 1 15 . 1 1 64 64 TYR N N 64 121.860 121.860 124.305 -2.445 19821 4341 1 15 . 1 1 64 64 TYR HA H 64 4.536 4.536 4.325 0.211 19821 4342 1 15 . 1 1 64 64 TYR CA C 64 57.358 57.358 58.439 -1.081 19821 4343 1 15 . 1 1 64 64 TYR H H 64 8.578 8.578 9.037 -0.459 19821 4344 1 15 . 1 1 65 65 CYS N N 65 119.180 119.180 121.912 -2.732 19821 4345 1 15 . 1 1 65 65 CYS HA H 65 4.756 4.756 5.071 -0.315 19821 4346 1 15 . 1 1 65 65 CYS CA C 65 53.177 53.177 57.533 -4.356 19821 4347 1 15 . 1 1 65 65 CYS H H 65 8.313 8.313 8.371 -0.058 19821 4348 1 15 . 1 1 66 66 LEU N N 66 125.298 125.298 122.089 3.209 19821 4349 1 15 . 1 1 66 66 LEU HA H 66 4.151 4.151 5.029 -0.878 19821 4350 1 15 . 1 1 66 66 LEU CA C 66 55.805 55.805 53.118 2.687 19821 4351 1 15 . 1 1 66 66 LEU H H 66 8.917 8.917 9.103 -0.186 19821 4352 1 15 . 1 1 67 67 LYS N N 67 126.834 126.834 123.467 3.367 19821 4353 1 15 . 1 1 67 67 LYS HA H 67 4.169 4.169 5.173 -1.004 19821 4354 1 15 . 1 1 67 67 LYS CA C 67 57.478 57.478 53.215 4.263 19821 4355 1 15 . 1 1 67 67 LYS H H 67 7.966 7.966 9.280 -1.314 19821 4356 1 15 . 1 1 68 68 HIS N N 68 122.718 122.718 127.198 -4.480 19821 4357 1 15 . 1 1 68 68 HIS HA H 68 4.583 4.583 4.412 0.171 19821 4358 1 15 . 1 1 68 68 HIS CA C 68 55.566 55.566 57.711 -2.145 19821 4359 1 15 . 1 1 68 68 HIS H H 68 8.648 8.648 8.891 -0.243 19821 4360 1 15 . 1 1 69 69 ARG N N 69 125.371 125.371 126.240 -0.869 19821 4361 1 15 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.360 -0.267 19821 4362 1 15 . 1 1 69 69 ARG CA C 69 56.940 56.940 56.757 0.183 19821 4363 1 15 . 1 1 69 69 ARG H H 69 8.334 8.334 8.665 -0.331 19821 4364 1 15 . 1 1 70 70 ASP N N 70 123.332 123.332 120.939 2.393 19821 4365 1 15 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.927 -0.500 19821 4366 1 15 . 1 1 70 70 ASP CA C 70 54.908 54.908 53.106 1.802 19821 4367 1 15 . 1 1 70 70 ASP H H 70 8.400 8.400 8.351 0.049 19821 4368 1 15 . 1 1 71 71 GLU N N 71 123.365 123.365 125.324 -1.959 19821 4369 1 15 . 1 1 71 71 GLU HA H 71 4.077 4.077 3.989 0.088 19821 4370 1 15 . 1 1 71 71 GLU CA C 71 57.484 57.484 60.584 -3.100 19821 4371 1 15 . 1 1 71 71 GLU H H 71 8.300 8.300 8.761 -0.461 19821 4372 1 15 . 1 1 72 72 LEU N N 72 123.444 123.444 118.833 4.611 19821 4373 1 15 . 1 1 72 72 LEU HA H 72 4.114 4.114 4.097 0.017 19821 4374 1 15 . 1 1 72 72 LEU CA C 72 55.865 55.865 58.103 -2.238 19821 4375 1 15 . 1 1 72 72 LEU H H 72 8.038 8.038 8.456 -0.418 19821 4376 1 15 . 1 1 73 73 ALA N N 73 125.204 125.204 122.125 3.079 19821 4377 1 15 . 1 1 73 73 ALA HA H 73 4.041 4.041 4.039 0.002 19821 4378 1 15 . 1 1 73 73 ALA CA C 73 53.475 53.475 54.322 -0.847 19821 4379 1 15 . 1 1 73 73 ALA H H 73 7.890 7.890 8.210 -0.320 19821 4380 1 15 . 1 1 74 74 ASP N N 74 120.369 120.369 120.465 -0.096 19821 4381 1 15 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.331 0.076 19821 4382 1 15 . 1 1 74 74 ASP CA C 74 54.790 54.790 57.075 -2.285 19821 4383 1 15 . 1 1 74 74 ASP H H 74 7.980 7.980 7.969 0.011 19821 4384 1 15 . 1 1 75 75 LEU N N 75 123.629 123.629 119.374 4.255 19821 4385 1 15 . 1 1 75 75 LEU HA H 75 3.978 3.978 3.855 0.123 19821 4386 1 15 . 1 1 75 75 LEU CA C 75 56.343 56.343 57.504 -1.161 19821 4387 1 15 . 1 1 75 75 LEU H H 75 7.902 7.902 8.171 -0.269 19821 4388 1 15 . 1 1 76 76 GLU N N 76 120.501 120.501 118.770 1.731 19821 4389 1 15 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.078 -0.129 19821 4390 1 15 . 1 1 76 76 GLU CA C 76 57.239 57.239 59.078 -1.839 19821 4391 1 15 . 1 1 76 76 GLU H H 76 7.994 7.994 7.826 0.168 19821 4392 1 15 . 1 1 77 77 HIS N N 77 119.010 119.010 117.983 1.027 19821 4393 1 15 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.307 0.092 19821 4394 1 15 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.537 -2.493 19821 4395 1 15 . 1 1 77 77 HIS H H 77 7.959 7.959 7.800 0.159 19821 4396 1 16 . 1 1 4 4 LEU N N 4 125.414 125.414 122.087 3.327 19821 4397 1 16 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.155 0.197 19821 4398 1 16 . 1 1 4 4 LEU CA C 4 54.670 54.670 56.876 -2.206 19821 4399 1 16 . 1 1 4 4 LEU H H 4 7.844 7.844 8.181 -0.337 19821 4400 1 16 . 1 1 5 5 SER N N 5 120.078 120.078 111.850 8.228 19821 4401 1 16 . 1 1 5 5 SER HA H 5 4.279 4.279 4.258 0.021 19821 4402 1 16 . 1 1 5 5 SER CA C 5 57.119 57.119 58.784 -1.665 19821 4403 1 16 . 1 1 5 5 SER H H 5 8.615 8.615 8.051 0.564 19821 4404 1 16 . 1 1 6 6 LEU N N 6 124.468 124.468 119.412 5.056 19821 4405 1 16 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.514 -0.591 19821 4406 1 16 . 1 1 6 6 LEU CA C 6 58.493 58.493 53.811 4.682 19821 4407 1 16 . 1 1 6 6 LEU H H 6 8.719 8.719 7.383 1.336 19821 4408 1 16 . 1 1 7 7 THR N N 7 115.018 115.018 115.707 -0.689 19821 4409 1 16 . 1 1 7 7 THR HA H 7 3.344 3.344 4.326 -0.982 19821 4410 1 16 . 1 1 7 7 THR CA C 7 68.469 68.469 61.566 6.903 19821 4411 1 16 . 1 1 7 7 THR H H 7 7.986 7.986 8.890 -0.904 19821 4412 1 16 . 1 1 8 8 GLN N N 8 120.628 120.628 119.041 1.587 19821 4413 1 16 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.126 -0.397 19821 4414 1 16 . 1 1 8 8 GLN CA C 8 59.628 59.628 58.923 0.705 19821 4415 1 16 . 1 1 8 8 GLN H H 8 7.398 7.398 8.740 -1.342 19821 4416 1 16 . 1 1 9 9 LEU N N 9 121.103 121.103 117.634 3.469 19821 4417 1 16 . 1 1 9 9 LEU HA H 9 3.959 3.959 4.080 -0.121 19821 4418 1 16 . 1 1 9 9 LEU CA C 9 58.553 58.553 58.237 0.316 19821 4419 1 16 . 1 1 9 9 LEU H H 9 8.324 8.324 7.554 0.770 19821 4420 1 16 . 1 1 10 10 ILE N N 10 119.788 119.788 122.607 -2.819 19821 4421 1 16 . 1 1 10 10 ILE HA H 10 3.226 3.226 3.895 -0.669 19821 4422 1 16 . 1 1 10 10 ILE CA C 10 66.319 66.319 64.646 1.673 19821 4423 1 16 . 1 1 10 10 ILE H H 10 8.149 8.149 7.969 0.180 19821 4424 1 16 . 1 1 11 11 LEU N N 11 119.842 119.842 120.449 -0.607 19821 4425 1 16 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.170 -0.478 19821 4426 1 16 . 1 1 11 11 LEU CA C 11 58.911 58.911 58.010 0.901 19821 4427 1 16 . 1 1 11 11 LEU H H 11 7.847 7.847 8.313 -0.466 19821 4428 1 16 . 1 1 12 12 ILE N N 12 123.069 123.069 119.553 3.516 19821 4429 1 16 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.530 -0.011 19821 4430 1 16 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.582 -0.339 19821 4431 1 16 . 1 1 12 12 ILE H H 12 8.323 8.323 7.785 0.538 19821 4432 1 16 . 1 1 13 13 ARG N N 13 124.216 124.216 118.870 5.346 19821 4433 1 16 . 1 1 13 13 ARG HA H 13 3.619 3.619 3.894 -0.275 19821 4434 1 16 . 1 1 13 13 ARG CA C 13 57.717 57.717 59.397 -1.680 19821 4435 1 16 . 1 1 13 13 ARG H H 13 7.796 7.796 8.086 -0.290 19821 4436 1 16 . 1 1 14 14 LEU N N 14 118.657 118.657 118.892 -0.235 19821 4437 1 16 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.857 0.514 19821 4438 1 16 . 1 1 14 14 LEU CA C 14 56.641 56.641 58.755 -2.114 19821 4439 1 16 . 1 1 14 14 LEU H H 14 8.450 8.450 8.156 0.294 19821 4440 1 16 . 1 1 15 15 SER N N 15 116.873 116.873 115.751 1.122 19821 4441 1 16 . 1 1 15 15 SER HA H 15 3.949 3.949 3.947 0.002 19821 4442 1 16 . 1 1 15 15 SER CA C 15 61.540 61.540 60.582 0.958 19821 4443 1 16 . 1 1 15 15 SER H H 15 7.864 7.864 7.830 0.034 19821 4444 1 16 . 1 1 16 16 ASN N N 16 118.994 118.994 116.347 2.647 19821 4445 1 16 . 1 1 16 16 ASN HA H 16 4.491 4.491 4.422 0.069 19821 4446 1 16 . 1 1 16 16 ASN CA C 16 55.626 55.626 55.607 0.019 19821 4447 1 16 . 1 1 16 16 ASN H H 16 7.804 7.804 8.396 -0.592 19821 4448 1 16 . 1 1 17 17 ARG N N 17 117.557 117.557 119.782 -2.225 19821 4449 1 16 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.055 0.242 19821 4450 1 16 . 1 1 17 17 ARG CA C 17 54.610 54.610 59.172 -4.562 19821 4451 1 16 . 1 1 17 17 ARG H H 17 8.343 8.343 8.115 0.228 19821 4452 1 16 . 1 1 18 18 GLY N N 18 110.623 110.623 108.974 1.649 19821 4453 1 16 . 1 1 18 18 GLY CA C 18 44.455 44.455 47.405 -2.950 19821 4454 1 16 . 1 1 18 18 GLY H H 18 7.303 7.303 7.996 -0.693 19821 4455 1 16 . 1 1 19 19 CYS N N 19 117.667 117.667 115.172 2.495 19821 4456 1 16 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.717 0.185 19821 4457 1 16 . 1 1 19 19 CYS CA C 19 58.254 58.254 57.602 0.652 19821 4458 1 16 . 1 1 19 19 CYS H H 19 7.950 7.950 7.775 0.175 19821 4459 1 16 . 1 1 20 20 GLN N N 20 121.882 121.882 120.359 1.523 19821 4460 1 16 . 1 1 20 20 GLN HA H 20 5.104 5.104 3.906 1.198 19821 4461 1 16 . 1 1 20 20 GLN CA C 20 53.714 53.714 56.482 -2.768 19821 4462 1 16 . 1 1 20 20 GLN H H 20 8.615 8.615 8.365 0.250 19821 4463 1 16 . 1 1 21 21 THR N N 21 116.183 116.183 116.365 -0.182 19821 4464 1 16 . 1 1 21 21 THR HA H 21 4.847 4.847 4.925 -0.078 19821 4465 1 16 . 1 1 21 21 THR CA C 21 60.763 60.763 60.487 0.276 19821 4466 1 16 . 1 1 21 21 THR H H 21 9.557 9.557 7.825 1.732 19821 4467 1 16 . 1 1 22 22 LEU N N 22 123.325 123.325 126.423 -3.098 19821 4468 1 16 . 1 1 22 22 LEU HA H 22 3.777 3.777 4.866 -1.089 19821 4469 1 16 . 1 1 22 22 LEU CA C 22 59.270 59.270 52.277 6.993 19821 4470 1 16 . 1 1 22 22 LEU H H 22 9.257 9.257 8.507 0.750 19821 4471 1 16 . 1 1 23 23 GLU N N 23 120.097 120.097 118.441 1.656 19821 4472 1 16 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.751 -0.828 19821 4473 1 16 . 1 1 23 23 GLU CA C 23 61.241 61.241 55.574 5.667 19821 4474 1 16 . 1 1 23 23 GLU H H 23 9.030 9.030 9.306 -0.276 19821 4475 1 16 . 1 1 24 24 GLU N N 24 122.438 122.438 123.035 -0.597 19821 4476 1 16 . 1 1 24 24 GLU HA H 24 3.912 3.912 4.018 -0.106 19821 4477 1 16 . 1 1 24 24 GLU CA C 24 59.270 59.270 60.287 -1.017 19821 4478 1 16 . 1 1 24 24 GLU H H 24 7.734 7.734 8.663 -0.929 19821 4479 1 16 . 1 1 25 25 LEU N N 25 123.263 123.263 119.295 3.968 19821 4480 1 16 . 1 1 25 25 LEU HA H 25 4.132 4.132 3.996 0.136 19821 4481 1 16 . 1 1 25 25 LEU CA C 25 58.314 58.314 58.107 0.207 19821 4482 1 16 . 1 1 25 25 LEU H H 25 8.350 8.350 8.485 -0.135 19821 4483 1 16 . 1 1 26 26 GLU N N 26 129.504 129.504 120.394 9.110 19821 4484 1 16 . 1 1 26 26 GLU HA H 26 3.601 3.601 4.079 -0.478 19821 4485 1 16 . 1 1 26 26 GLU CA C 26 60.942 60.942 59.331 1.611 19821 4486 1 16 . 1 1 26 26 GLU H H 26 9.362 9.362 7.896 1.466 19821 4487 1 16 . 1 1 27 27 GLU N N 27 121.392 121.392 118.497 2.895 19821 4488 1 16 . 1 1 27 27 GLU HA H 27 3.857 3.857 3.998 -0.141 19821 4489 1 16 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.722 -0.333 19821 4490 1 16 . 1 1 27 27 GLU H H 27 7.741 7.741 8.392 -0.651 19821 4491 1 16 . 1 1 28 28 PHE N N 28 117.204 117.204 120.488 -3.284 19821 4492 1 16 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.168 0.129 19821 4493 1 16 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.246 -0.423 19821 4494 1 16 . 1 1 28 28 PHE H H 28 7.392 7.392 8.077 -0.685 19821 4495 1 16 . 1 1 29 29 THR N N 29 107.601 107.601 112.804 -5.203 19821 4496 1 16 . 1 1 29 29 THR HA H 29 3.472 3.472 4.084 -0.612 19821 4497 1 16 . 1 1 29 29 THR CA C 29 63.989 63.989 64.223 -0.234 19821 4498 1 16 . 1 1 29 29 THR H H 29 8.220 8.220 7.967 0.253 19821 4499 1 16 . 1 1 30 30 GLN N N 30 116.862 116.862 118.724 -1.862 19821 4500 1 16 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.098 -0.369 19821 4501 1 16 . 1 1 30 30 GLN CA C 30 57.478 57.478 58.682 -1.204 19821 4502 1 16 . 1 1 30 30 GLN H H 30 7.974 7.974 8.318 -0.344 19821 4503 1 16 . 1 1 31 31 ALA N N 31 122.778 122.778 117.379 5.399 19821 4504 1 16 . 1 1 31 31 ALA HA H 31 4.213 4.213 4.008 0.205 19821 4505 1 16 . 1 1 31 31 ALA CA C 31 51.265 51.265 52.880 -1.615 19821 4506 1 16 . 1 1 31 31 ALA H H 31 7.384 7.384 7.772 -0.388 19821 4507 1 16 . 1 1 32 32 LYS N N 32 121.107 121.107 118.163 2.944 19821 4508 1 16 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.886 0.173 19821 4509 1 16 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.480 -1.197 19821 4510 1 16 . 1 1 32 32 LYS H H 32 8.194 8.194 7.672 0.522 19821 4511 1 16 . 1 1 33 33 ARG N N 33 126.754 126.754 118.522 8.232 19821 4512 1 16 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.637 -0.368 19821 4513 1 16 . 1 1 33 33 ARG CA C 33 61.002 61.002 54.285 6.717 19821 4514 1 16 . 1 1 33 33 ARG H H 33 8.690 8.690 7.817 0.873 19821 4515 1 16 . 1 1 34 34 GLU N N 34 117.537 117.537 120.104 -2.567 19821 4516 1 16 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.225 -0.368 19821 4517 1 16 . 1 1 34 34 GLU CA C 34 60.619 60.619 56.825 3.794 19821 4518 1 16 . 1 1 34 34 GLU H H 34 9.236 9.236 8.453 0.783 19821 4519 1 16 . 1 1 35 35 VAL N N 35 121.054 121.054 126.125 -5.071 19821 4520 1 16 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.660 0.014 19821 4521 1 16 . 1 1 35 35 VAL CA C 35 65.064 65.064 66.843 -1.779 19821 4522 1 16 . 1 1 35 35 VAL H H 35 6.681 6.681 8.865 -2.184 19821 4523 1 16 . 1 1 36 36 LEU N N 36 126.417 126.417 120.222 6.195 19821 4524 1 16 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.101 -0.482 19821 4525 1 16 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.778 1.014 19821 4526 1 16 . 1 1 36 36 LEU H H 36 8.140 8.140 8.612 -0.472 19821 4527 1 16 . 1 1 37 37 LEU N N 37 120.272 120.272 120.966 -0.694 19821 4528 1 16 . 1 1 37 37 LEU HA H 37 3.766 3.766 3.930 -0.164 19821 4529 1 16 . 1 1 37 37 LEU CA C 37 58.911 58.911 58.154 0.757 19821 4530 1 16 . 1 1 37 37 LEU H H 37 8.492 8.492 7.870 0.622 19821 4531 1 16 . 1 1 38 38 VAL N N 38 122.614 122.614 120.672 1.942 19821 4532 1 16 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.840 -0.238 19821 4533 1 16 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.380 1.536 19821 4534 1 16 . 1 1 38 38 VAL H H 38 7.508 7.508 8.320 -0.812 19821 4535 1 16 . 1 1 39 39 THR N N 39 120.141 120.141 111.780 8.361 19821 4536 1 16 . 1 1 39 39 THR HA H 39 3.678 3.678 3.827 -0.149 19821 4537 1 16 . 1 1 39 39 THR CA C 39 67.812 67.812 65.176 2.636 19821 4538 1 16 . 1 1 39 39 THR H H 39 7.626 7.626 7.966 -0.340 19821 4539 1 16 . 1 1 40 40 LEU N N 40 123.404 123.404 121.216 2.188 19821 4540 1 16 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.786 -0.157 19821 4541 1 16 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.659 -1.226 19821 4542 1 16 . 1 1 40 40 LEU H H 40 8.644 8.644 8.119 0.525 19821 4543 1 16 . 1 1 41 41 THR N N 41 119.278 119.278 114.218 5.060 19821 4544 1 16 . 1 1 41 41 THR HA H 41 3.839 3.839 4.053 -0.214 19821 4545 1 16 . 1 1 41 41 THR CA C 41 67.573 67.573 65.798 1.775 19821 4546 1 16 . 1 1 41 41 THR H H 41 8.169 8.169 7.715 0.454 19821 4547 1 16 . 1 1 42 42 ARG N N 42 124.625 124.625 121.392 3.233 19821 4548 1 16 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.938 0.066 19821 4549 1 16 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.069 0.798 19821 4550 1 16 . 1 1 42 42 ARG H H 42 7.748 7.748 8.428 -0.680 19821 4551 1 16 . 1 1 43 43 LEU N N 43 120.115 120.115 122.575 -2.460 19821 4552 1 16 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.113 -0.219 19821 4553 1 16 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.418 -2.283 19821 4554 1 16 . 1 1 43 43 LEU H H 43 7.963 7.963 8.324 -0.361 19821 4555 1 16 . 1 1 44 44 HIS N N 44 123.297 123.297 120.670 2.627 19821 4556 1 16 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.338 0.069 19821 4557 1 16 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.594 0.094 19821 4558 1 16 . 1 1 44 44 HIS H H 44 8.454 8.454 8.020 0.434 19821 4559 1 16 . 1 1 45 45 GLN N N 45 124.648 124.648 117.879 6.769 19821 4560 1 16 . 1 1 45 45 GLN HA H 45 3.821 3.821 3.957 -0.136 19821 4561 1 16 . 1 1 45 45 GLN CA C 45 59.270 59.270 58.834 0.436 19821 4562 1 16 . 1 1 45 45 GLN H H 45 8.626 8.626 7.871 0.755 19821 4563 1 16 . 1 1 46 46 ARG N N 46 117.047 117.047 120.502 -3.455 19821 4564 1 16 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.351 -0.182 19821 4565 1 16 . 1 1 46 46 ARG CA C 46 56.641 56.641 59.145 -2.505 19821 4566 1 16 . 1 1 46 46 ARG H H 46 7.628 7.628 8.156 -0.528 19821 4567 1 16 . 1 1 47 47 GLY N N 47 109.401 109.401 107.219 2.182 19821 4568 1 16 . 1 1 47 47 GLY CA C 47 46.128 46.128 47.425 -1.297 19821 4569 1 16 . 1 1 47 47 GLY H H 47 7.763 7.763 8.413 -0.650 19821 4570 1 16 . 1 1 48 48 VAL N N 48 118.932 118.932 115.734 3.198 19821 4571 1 16 . 1 1 48 48 VAL HA H 48 3.801 3.801 4.024 -0.223 19821 4572 1 16 . 1 1 48 48 VAL CA C 48 64.168 64.168 62.724 1.444 19821 4573 1 16 . 1 1 48 48 VAL H H 48 7.787 7.787 7.592 0.195 19821 4574 1 16 . 1 1 49 49 ILE N N 49 110.494 110.494 117.486 -6.992 19821 4575 1 16 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.820 1.394 19821 4576 1 16 . 1 1 49 49 ILE CA C 49 58.075 58.075 61.592 -3.517 19821 4577 1 16 . 1 1 49 49 ILE H H 49 6.766 6.766 7.528 -0.762 19821 4578 1 16 . 1 1 50 50 TYR N N 50 120.330 120.330 120.185 0.145 19821 4579 1 16 . 1 1 50 50 TYR HA H 50 4.884 4.884 3.370 1.514 19821 4580 1 16 . 1 1 50 50 TYR CA C 50 55.805 55.805 59.912 -4.107 19821 4581 1 16 . 1 1 50 50 TYR H H 50 9.025 9.025 8.183 0.842 19821 4582 1 16 . 1 1 51 51 ARG N N 51 120.608 120.608 112.482 8.126 19821 4583 1 16 . 1 1 51 51 ARG HA H 51 4.957 4.957 5.180 -0.223 19821 4584 1 16 . 1 1 51 51 ARG CA C 51 53.834 53.834 53.433 0.401 19821 4585 1 16 . 1 1 51 51 ARG H H 51 8.511 8.511 7.359 1.152 19821 4586 1 16 . 1 1 52 52 LYS N N 52 121.992 121.992 117.242 4.750 19821 4587 1 16 . 1 1 52 52 LYS HA H 52 4.371 4.371 5.040 -0.669 19821 4588 1 16 . 1 1 52 52 LYS CA C 52 55.626 55.626 54.317 1.309 19821 4589 1 16 . 1 1 52 52 LYS H H 52 8.324 8.324 8.983 -0.659 19821 4590 1 16 . 1 1 53 53 TRP N N 53 121.803 121.803 119.806 1.997 19821 4591 1 16 . 1 1 53 53 TRP HA H 53 4.996 4.996 5.276 -0.280 19821 4592 1 16 . 1 1 53 53 TRP CA C 53 56.462 56.462 55.097 1.365 19821 4593 1 16 . 1 1 53 53 TRP H H 53 8.457 8.457 8.237 0.220 19821 4594 1 16 . 1 1 54 54 ARG N N 54 127.059 127.059 121.180 5.879 19821 4595 1 16 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.650 -0.188 19821 4596 1 16 . 1 1 54 54 ARG CA C 54 55.088 55.088 54.311 0.777 19821 4597 1 16 . 1 1 54 54 ARG H H 54 9.555 9.555 8.536 1.019 19821 4598 1 16 . 1 1 55 55 HIS N N 55 127.930 127.930 121.554 6.376 19821 4599 1 16 . 1 1 55 55 HIS HA H 55 5.089 5.089 5.222 -0.133 19821 4600 1 16 . 1 1 55 55 HIS CA C 55 55.984 55.984 55.215 0.769 19821 4601 1 16 . 1 1 55 55 HIS H H 55 9.019 9.019 8.928 0.091 19821 4602 1 16 . 1 1 56 56 PHE N N 56 125.912 125.912 125.953 -0.041 19821 4603 1 16 . 1 1 56 56 PHE HA H 56 4.627 4.627 4.726 -0.099 19821 4604 1 16 . 1 1 56 56 PHE CA C 56 58.195 58.195 57.435 0.760 19821 4605 1 16 . 1 1 56 56 PHE H H 56 8.707 8.707 8.760 -0.053 19821 4606 1 16 . 1 1 57 57 SER N N 57 124.434 124.434 125.207 -0.773 19821 4607 1 16 . 1 1 57 57 SER HA H 57 3.727 3.727 4.673 -0.946 19821 4608 1 16 . 1 1 57 57 SER CA C 57 58.433 58.433 58.588 -0.155 19821 4609 1 16 . 1 1 57 57 SER H H 57 8.829 8.829 9.137 -0.308 19821 4610 1 16 . 1 1 58 58 GLY N N 58 108.465 108.465 115.600 -7.135 19821 4611 1 16 . 1 1 58 58 GLY CA C 58 45.769 45.769 44.128 1.641 19821 4612 1 16 . 1 1 58 58 GLY H H 58 8.456 8.456 8.971 -0.515 19821 4613 1 16 . 1 1 59 59 ARG N N 59 122.424 122.424 127.738 -5.314 19821 4614 1 16 . 1 1 59 59 ARG HA H 59 4.381 4.381 3.664 0.717 19821 4615 1 16 . 1 1 59 59 ARG CA C 59 54.849 54.849 56.938 -2.088 19821 4616 1 16 . 1 1 59 59 ARG H H 59 7.803 7.803 8.946 -1.143 19821 4617 1 16 . 1 1 60 60 LYS N N 60 121.613 121.613 117.405 4.208 19821 4618 1 16 . 1 1 60 60 LYS HA H 60 5.041 5.041 3.487 1.554 19821 4619 1 16 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.112 -0.990 19821 4620 1 16 . 1 1 60 60 LYS H H 60 7.912 7.912 8.268 -0.356 19821 4621 1 16 . 1 1 61 61 TYR N N 61 122.435 122.435 119.904 2.531 19821 4622 1 16 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.613 0.289 19821 4623 1 16 . 1 1 61 61 TYR CA C 61 56.522 56.522 55.695 0.827 19821 4624 1 16 . 1 1 61 61 TYR H H 61 8.883 8.883 7.464 1.419 19821 4625 1 16 . 1 1 62 62 ARG N N 62 127.580 127.580 125.259 2.321 19821 4626 1 16 . 1 1 62 62 ARG HA H 62 3.766 3.766 4.734 -0.968 19821 4627 1 16 . 1 1 62 62 ARG CA C 62 56.402 56.402 55.854 0.548 19821 4628 1 16 . 1 1 62 62 ARG H H 62 9.197 9.197 8.565 0.632 19821 4629 1 16 . 1 1 63 63 GLU N N 63 124.048 124.048 124.659 -0.611 19821 4630 1 16 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.344 0.082 19821 4631 1 16 . 1 1 63 63 GLU CA C 63 53.834 53.834 55.999 -2.166 19821 4632 1 16 . 1 1 63 63 GLU H H 63 8.525 8.525 9.126 -0.601 19821 4633 1 16 . 1 1 64 64 TYR N N 64 121.860 121.860 125.011 -3.151 19821 4634 1 16 . 1 1 64 64 TYR HA H 64 4.536 4.536 4.624 -0.088 19821 4635 1 16 . 1 1 64 64 TYR CA C 64 57.358 57.358 57.575 -0.217 19821 4636 1 16 . 1 1 64 64 TYR H H 64 8.578 8.578 8.960 -0.382 19821 4637 1 16 . 1 1 65 65 CYS N N 65 119.180 119.180 124.840 -5.660 19821 4638 1 16 . 1 1 65 65 CYS HA H 65 4.756 4.756 5.259 -0.503 19821 4639 1 16 . 1 1 65 65 CYS CA C 65 53.177 53.177 57.408 -4.231 19821 4640 1 16 . 1 1 65 65 CYS H H 65 8.313 8.313 8.430 -0.117 19821 4641 1 16 . 1 1 66 66 LEU N N 66 125.298 125.298 121.583 3.715 19821 4642 1 16 . 1 1 66 66 LEU HA H 66 4.151 4.151 5.173 -1.022 19821 4643 1 16 . 1 1 66 66 LEU CA C 66 55.805 55.805 53.161 2.644 19821 4644 1 16 . 1 1 66 66 LEU H H 66 8.917 8.917 9.070 -0.153 19821 4645 1 16 . 1 1 67 67 LYS N N 67 126.834 126.834 119.522 7.312 19821 4646 1 16 . 1 1 67 67 LYS HA H 67 4.169 4.169 4.482 -0.313 19821 4647 1 16 . 1 1 67 67 LYS CA C 67 57.478 57.478 53.802 3.676 19821 4648 1 16 . 1 1 67 67 LYS H H 67 7.966 7.966 8.586 -0.620 19821 4649 1 16 . 1 1 68 68 HIS N N 68 122.718 122.718 122.491 0.227 19821 4650 1 16 . 1 1 68 68 HIS HA H 68 4.583 4.583 4.634 -0.051 19821 4651 1 16 . 1 1 68 68 HIS CA C 68 55.566 55.566 57.051 -1.485 19821 4652 1 16 . 1 1 68 68 HIS H H 68 8.648 8.648 9.011 -0.363 19821 4653 1 16 . 1 1 69 69 ARG N N 69 125.371 125.371 124.063 1.308 19821 4654 1 16 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.486 -0.393 19821 4655 1 16 . 1 1 69 69 ARG CA C 69 56.940 56.940 56.997 -0.057 19821 4656 1 16 . 1 1 69 69 ARG H H 69 8.334 8.334 8.703 -0.369 19821 4657 1 16 . 1 1 70 70 ASP N N 70 123.332 123.332 122.262 1.070 19821 4658 1 16 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.622 -0.195 19821 4659 1 16 . 1 1 70 70 ASP CA C 70 54.908 54.908 53.745 1.163 19821 4660 1 16 . 1 1 70 70 ASP H H 70 8.400 8.400 7.748 0.652 19821 4661 1 16 . 1 1 71 71 GLU N N 71 123.365 123.365 125.397 -2.032 19821 4662 1 16 . 1 1 71 71 GLU HA H 71 4.077 4.077 4.000 0.077 19821 4663 1 16 . 1 1 71 71 GLU CA C 71 57.484 57.484 60.771 -3.287 19821 4664 1 16 . 1 1 71 71 GLU H H 71 8.300 8.300 8.299 0.001 19821 4665 1 16 . 1 1 72 72 LEU N N 72 123.444 123.444 119.193 4.251 19821 4666 1 16 . 1 1 72 72 LEU HA H 72 4.114 4.114 4.081 0.033 19821 4667 1 16 . 1 1 72 72 LEU CA C 72 55.865 55.865 58.205 -2.340 19821 4668 1 16 . 1 1 72 72 LEU H H 72 8.038 8.038 8.413 -0.375 19821 4669 1 16 . 1 1 73 73 ALA N N 73 125.204 125.204 122.410 2.794 19821 4670 1 16 . 1 1 73 73 ALA HA H 73 4.041 4.041 4.141 -0.100 19821 4671 1 16 . 1 1 73 73 ALA CA C 73 53.475 53.475 54.444 -0.969 19821 4672 1 16 . 1 1 73 73 ALA H H 73 7.890 7.890 8.111 -0.221 19821 4673 1 16 . 1 1 74 74 ASP N N 74 120.369 120.369 119.721 0.648 19821 4674 1 16 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.182 0.225 19821 4675 1 16 . 1 1 74 74 ASP CA C 74 54.790 54.790 57.397 -2.607 19821 4676 1 16 . 1 1 74 74 ASP H H 74 7.980 7.980 8.547 -0.567 19821 4677 1 16 . 1 1 75 75 LEU N N 75 123.629 123.629 119.551 4.078 19821 4678 1 16 . 1 1 75 75 LEU HA H 75 3.978 3.978 3.748 0.230 19821 4679 1 16 . 1 1 75 75 LEU CA C 75 56.343 56.343 57.707 -1.364 19821 4680 1 16 . 1 1 75 75 LEU H H 75 7.902 7.902 8.283 -0.381 19821 4681 1 16 . 1 1 76 76 GLU N N 76 120.501 120.501 118.828 1.673 19821 4682 1 16 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.092 -0.143 19821 4683 1 16 . 1 1 76 76 GLU CA C 76 57.239 57.239 58.974 -1.734 19821 4684 1 16 . 1 1 76 76 GLU H H 76 7.994 7.994 7.768 0.226 19821 4685 1 16 . 1 1 77 77 HIS N N 77 119.010 119.010 117.952 1.058 19821 4686 1 16 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.309 0.090 19821 4687 1 16 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.509 -2.465 19821 4688 1 16 . 1 1 77 77 HIS H H 77 7.959 7.959 8.119 -0.160 19821 4689 1 17 . 1 1 4 4 LEU N N 4 125.414 125.414 122.488 2.926 19821 4690 1 17 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.172 0.180 19821 4691 1 17 . 1 1 4 4 LEU CA C 4 54.670 54.670 57.110 -2.440 19821 4692 1 17 . 1 1 4 4 LEU H H 4 7.844 7.844 8.389 -0.545 19821 4693 1 17 . 1 1 5 5 SER N N 5 120.078 120.078 112.022 8.056 19821 4694 1 17 . 1 1 5 5 SER HA H 5 4.279 4.279 4.269 0.010 19821 4695 1 17 . 1 1 5 5 SER CA C 5 57.119 57.119 59.575 -2.455 19821 4696 1 17 . 1 1 5 5 SER H H 5 8.615 8.615 8.085 0.530 19821 4697 1 17 . 1 1 6 6 LEU N N 6 124.468 124.468 118.039 6.429 19821 4698 1 17 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.276 -0.353 19821 4699 1 17 . 1 1 6 6 LEU CA C 6 58.493 58.493 55.408 3.085 19821 4700 1 17 . 1 1 6 6 LEU H H 6 8.719 8.719 7.423 1.296 19821 4701 1 17 . 1 1 7 7 THR N N 7 115.018 115.018 113.491 1.527 19821 4702 1 17 . 1 1 7 7 THR HA H 7 3.344 3.344 4.309 -0.965 19821 4703 1 17 . 1 1 7 7 THR CA C 7 68.469 68.469 61.304 7.165 19821 4704 1 17 . 1 1 7 7 THR H H 7 7.986 7.986 7.884 0.102 19821 4705 1 17 . 1 1 8 8 GLN N N 8 120.628 120.628 128.390 -7.762 19821 4706 1 17 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.126 -0.397 19821 4707 1 17 . 1 1 8 8 GLN CA C 8 59.628 59.628 58.992 0.636 19821 4708 1 17 . 1 1 8 8 GLN H H 8 7.398 7.398 8.803 -1.405 19821 4709 1 17 . 1 1 9 9 LEU N N 9 121.103 121.103 120.927 0.176 19821 4710 1 17 . 1 1 9 9 LEU HA H 9 3.959 3.959 3.915 0.044 19821 4711 1 17 . 1 1 9 9 LEU CA C 9 58.553 58.553 59.775 -1.222 19821 4712 1 17 . 1 1 9 9 LEU H H 9 8.324 8.324 8.223 0.101 19821 4713 1 17 . 1 1 10 10 ILE N N 10 119.788 119.788 121.873 -2.085 19821 4714 1 17 . 1 1 10 10 ILE HA H 10 3.226 3.226 3.973 -0.747 19821 4715 1 17 . 1 1 10 10 ILE CA C 10 66.319 66.319 64.017 2.302 19821 4716 1 17 . 1 1 10 10 ILE H H 10 8.149 8.149 7.804 0.345 19821 4717 1 17 . 1 1 11 11 LEU N N 11 119.842 119.842 120.466 -0.624 19821 4718 1 17 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.143 -0.451 19821 4719 1 17 . 1 1 11 11 LEU CA C 11 58.911 58.911 58.124 0.787 19821 4720 1 17 . 1 1 11 11 LEU H H 11 7.847 7.847 8.002 -0.155 19821 4721 1 17 . 1 1 12 12 ILE N N 12 123.069 123.069 119.539 3.530 19821 4722 1 17 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.552 -0.033 19821 4723 1 17 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.747 -0.504 19821 4724 1 17 . 1 1 12 12 ILE H H 12 8.323 8.323 8.249 0.074 19821 4725 1 17 . 1 1 13 13 ARG N N 13 124.216 124.216 117.953 6.263 19821 4726 1 17 . 1 1 13 13 ARG HA H 13 3.619 3.619 4.013 -0.394 19821 4727 1 17 . 1 1 13 13 ARG CA C 13 57.717 57.717 58.123 -0.406 19821 4728 1 17 . 1 1 13 13 ARG H H 13 7.796 7.796 7.386 0.410 19821 4729 1 17 . 1 1 14 14 LEU N N 14 118.657 118.657 119.827 -1.170 19821 4730 1 17 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.843 0.528 19821 4731 1 17 . 1 1 14 14 LEU CA C 14 56.641 56.641 58.480 -1.839 19821 4732 1 17 . 1 1 14 14 LEU H H 14 8.450 8.450 8.279 0.171 19821 4733 1 17 . 1 1 15 15 SER N N 15 116.873 116.873 115.151 1.722 19821 4734 1 17 . 1 1 15 15 SER HA H 15 3.949 3.949 3.855 0.094 19821 4735 1 17 . 1 1 15 15 SER CA C 15 61.540 61.540 60.002 1.538 19821 4736 1 17 . 1 1 15 15 SER H H 15 7.864 7.864 7.916 -0.052 19821 4737 1 17 . 1 1 16 16 ASN N N 16 118.994 118.994 115.229 3.765 19821 4738 1 17 . 1 1 16 16 ASN HA H 16 4.491 4.491 4.963 -0.472 19821 4739 1 17 . 1 1 16 16 ASN CA C 16 55.626 55.626 53.429 2.197 19821 4740 1 17 . 1 1 16 16 ASN H H 16 7.804 7.804 7.988 -0.184 19821 4741 1 17 . 1 1 17 17 ARG N N 17 117.557 117.557 120.335 -2.778 19821 4742 1 17 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.088 0.209 19821 4743 1 17 . 1 1 17 17 ARG CA C 17 54.610 54.610 58.688 -4.078 19821 4744 1 17 . 1 1 17 17 ARG H H 17 8.343 8.343 7.578 0.765 19821 4745 1 17 . 1 1 18 18 GLY N N 18 110.623 110.623 106.847 3.776 19821 4746 1 17 . 1 1 18 18 GLY CA C 18 44.455 44.455 46.089 -1.634 19821 4747 1 17 . 1 1 18 18 GLY H H 18 7.303 7.303 7.890 -0.587 19821 4748 1 17 . 1 1 19 19 CYS N N 19 117.667 117.667 117.940 -0.273 19821 4749 1 17 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.338 0.564 19821 4750 1 17 . 1 1 19 19 CYS CA C 19 58.254 58.254 57.805 0.449 19821 4751 1 17 . 1 1 19 19 CYS H H 19 7.950 7.950 7.587 0.363 19821 4752 1 17 . 1 1 20 20 GLN N N 20 121.882 121.882 119.080 2.802 19821 4753 1 17 . 1 1 20 20 GLN HA H 20 5.104 5.104 4.486 0.618 19821 4754 1 17 . 1 1 20 20 GLN CA C 20 53.714 53.714 55.933 -2.219 19821 4755 1 17 . 1 1 20 20 GLN H H 20 8.615 8.615 9.511 -0.896 19821 4756 1 17 . 1 1 21 21 THR N N 21 116.183 116.183 113.404 2.779 19821 4757 1 17 . 1 1 21 21 THR HA H 21 4.847 4.847 5.150 -0.303 19821 4758 1 17 . 1 1 21 21 THR CA C 21 60.763 60.763 61.204 -0.441 19821 4759 1 17 . 1 1 21 21 THR H H 21 9.557 9.557 7.771 1.786 19821 4760 1 17 . 1 1 22 22 LEU N N 22 123.325 123.325 127.335 -4.010 19821 4761 1 17 . 1 1 22 22 LEU HA H 22 3.777 3.777 5.211 -1.434 19821 4762 1 17 . 1 1 22 22 LEU CA C 22 59.270 59.270 52.713 6.557 19821 4763 1 17 . 1 1 22 22 LEU H H 22 9.257 9.257 8.922 0.335 19821 4764 1 17 . 1 1 23 23 GLU N N 23 120.097 120.097 118.166 1.931 19821 4765 1 17 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.673 -0.750 19821 4766 1 17 . 1 1 23 23 GLU CA C 23 61.241 61.241 54.871 6.370 19821 4767 1 17 . 1 1 23 23 GLU H H 23 9.030 9.030 9.446 -0.416 19821 4768 1 17 . 1 1 24 24 GLU N N 24 122.438 122.438 121.790 0.648 19821 4769 1 17 . 1 1 24 24 GLU HA H 24 3.912 3.912 4.108 -0.196 19821 4770 1 17 . 1 1 24 24 GLU CA C 24 59.270 59.270 60.096 -0.827 19821 4771 1 17 . 1 1 24 24 GLU H H 24 7.734 7.734 9.199 -1.465 19821 4772 1 17 . 1 1 25 25 LEU N N 25 123.263 123.263 119.302 3.961 19821 4773 1 17 . 1 1 25 25 LEU HA H 25 4.132 4.132 4.256 -0.124 19821 4774 1 17 . 1 1 25 25 LEU CA C 25 58.314 58.314 57.996 0.318 19821 4775 1 17 . 1 1 25 25 LEU H H 25 8.350 8.350 8.393 -0.043 19821 4776 1 17 . 1 1 26 26 GLU N N 26 129.504 129.504 120.578 8.926 19821 4777 1 17 . 1 1 26 26 GLU HA H 26 3.601 3.601 4.135 -0.534 19821 4778 1 17 . 1 1 26 26 GLU CA C 26 60.942 60.942 59.369 1.573 19821 4779 1 17 . 1 1 26 26 GLU H H 26 9.362 9.362 8.160 1.202 19821 4780 1 17 . 1 1 27 27 GLU N N 27 121.392 121.392 118.249 3.143 19821 4781 1 17 . 1 1 27 27 GLU HA H 27 3.857 3.857 4.089 -0.232 19821 4782 1 17 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.441 -0.052 19821 4783 1 17 . 1 1 27 27 GLU H H 27 7.741 7.741 8.510 -0.769 19821 4784 1 17 . 1 1 28 28 PHE N N 28 117.204 117.204 121.023 -3.819 19821 4785 1 17 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.164 0.133 19821 4786 1 17 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.318 -0.495 19821 4787 1 17 . 1 1 28 28 PHE H H 28 7.392 7.392 8.355 -0.963 19821 4788 1 17 . 1 1 29 29 THR N N 29 107.601 107.601 113.230 -5.629 19821 4789 1 17 . 1 1 29 29 THR HA H 29 3.472 3.472 4.089 -0.617 19821 4790 1 17 . 1 1 29 29 THR CA C 29 63.989 63.989 64.462 -0.473 19821 4791 1 17 . 1 1 29 29 THR H H 29 8.220 8.220 7.768 0.452 19821 4792 1 17 . 1 1 30 30 GLN N N 30 116.862 116.862 120.572 -3.710 19821 4793 1 17 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.094 -0.365 19821 4794 1 17 . 1 1 30 30 GLN CA C 30 57.478 57.478 58.553 -1.075 19821 4795 1 17 . 1 1 30 30 GLN H H 30 7.974 7.974 8.206 -0.232 19821 4796 1 17 . 1 1 31 31 ALA N N 31 122.778 122.778 117.399 5.379 19821 4797 1 17 . 1 1 31 31 ALA HA H 31 4.213 4.213 4.052 0.161 19821 4798 1 17 . 1 1 31 31 ALA CA C 31 51.265 51.265 52.831 -1.566 19821 4799 1 17 . 1 1 31 31 ALA H H 31 7.384 7.384 7.912 -0.528 19821 4800 1 17 . 1 1 32 32 LYS N N 32 121.107 121.107 117.884 3.223 19821 4801 1 17 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.898 0.161 19821 4802 1 17 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.339 -1.056 19821 4803 1 17 . 1 1 32 32 LYS H H 32 8.194 8.194 7.896 0.298 19821 4804 1 17 . 1 1 33 33 ARG N N 33 126.754 126.754 117.825 8.929 19821 4805 1 17 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.655 -0.386 19821 4806 1 17 . 1 1 33 33 ARG CA C 33 61.002 61.002 54.525 6.477 19821 4807 1 17 . 1 1 33 33 ARG H H 33 8.690 8.690 7.492 1.198 19821 4808 1 17 . 1 1 34 34 GLU N N 34 117.537 117.537 120.819 -3.282 19821 4809 1 17 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.235 -0.378 19821 4810 1 17 . 1 1 34 34 GLU CA C 34 60.619 60.619 56.850 3.769 19821 4811 1 17 . 1 1 34 34 GLU H H 34 9.236 9.236 8.543 0.693 19821 4812 1 17 . 1 1 35 35 VAL N N 35 121.054 121.054 126.785 -5.731 19821 4813 1 17 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.656 0.018 19821 4814 1 17 . 1 1 35 35 VAL CA C 35 65.064 65.064 66.590 -1.526 19821 4815 1 17 . 1 1 35 35 VAL H H 35 6.681 6.681 8.920 -2.239 19821 4816 1 17 . 1 1 36 36 LEU N N 36 126.417 126.417 120.298 6.119 19821 4817 1 17 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.136 -0.517 19821 4818 1 17 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.904 0.888 19821 4819 1 17 . 1 1 36 36 LEU H H 36 8.140 8.140 8.498 -0.358 19821 4820 1 17 . 1 1 37 37 LEU N N 37 120.272 120.272 120.413 -0.141 19821 4821 1 17 . 1 1 37 37 LEU HA H 37 3.766 3.766 3.938 -0.172 19821 4822 1 17 . 1 1 37 37 LEU CA C 37 58.911 58.911 57.967 0.944 19821 4823 1 17 . 1 1 37 37 LEU H H 37 8.492 8.492 7.927 0.565 19821 4824 1 17 . 1 1 38 38 VAL N N 38 122.614 122.614 119.904 2.710 19821 4825 1 17 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.766 -0.165 19821 4826 1 17 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.596 1.321 19821 4827 1 17 . 1 1 38 38 VAL H H 38 7.508 7.508 7.933 -0.425 19821 4828 1 17 . 1 1 39 39 THR N N 39 120.141 120.141 113.074 7.067 19821 4829 1 17 . 1 1 39 39 THR HA H 39 3.678 3.678 3.907 -0.229 19821 4830 1 17 . 1 1 39 39 THR CA C 39 67.812 67.812 65.266 2.546 19821 4831 1 17 . 1 1 39 39 THR H H 39 7.626 7.626 8.273 -0.647 19821 4832 1 17 . 1 1 40 40 LEU N N 40 123.404 123.404 120.090 3.314 19821 4833 1 17 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.720 -0.091 19821 4834 1 17 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.621 -1.188 19821 4835 1 17 . 1 1 40 40 LEU H H 40 8.644 8.644 8.062 0.582 19821 4836 1 17 . 1 1 41 41 THR N N 41 119.278 119.278 116.756 2.522 19821 4837 1 17 . 1 1 41 41 THR HA H 41 3.839 3.839 4.013 -0.174 19821 4838 1 17 . 1 1 41 41 THR CA C 41 67.573 67.573 67.598 -0.025 19821 4839 1 17 . 1 1 41 41 THR H H 41 8.169 8.169 7.809 0.360 19821 4840 1 17 . 1 1 42 42 ARG N N 42 124.625 124.625 120.642 3.983 19821 4841 1 17 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.822 0.182 19821 4842 1 17 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.249 0.618 19821 4843 1 17 . 1 1 42 42 ARG H H 42 7.748 7.748 8.306 -0.558 19821 4844 1 17 . 1 1 43 43 LEU N N 43 120.115 120.115 122.455 -2.340 19821 4845 1 17 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.140 -0.246 19821 4846 1 17 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.361 -2.226 19821 4847 1 17 . 1 1 43 43 LEU H H 43 7.963 7.963 8.361 -0.398 19821 4848 1 17 . 1 1 44 44 HIS N N 44 123.297 123.297 120.784 2.513 19821 4849 1 17 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.352 0.055 19821 4850 1 17 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.581 0.107 19821 4851 1 17 . 1 1 44 44 HIS H H 44 8.454 8.454 8.079 0.375 19821 4852 1 17 . 1 1 45 45 GLN N N 45 124.648 124.648 118.155 6.493 19821 4853 1 17 . 1 1 45 45 GLN HA H 45 3.821 3.821 3.990 -0.169 19821 4854 1 17 . 1 1 45 45 GLN CA C 45 59.270 59.270 58.819 0.451 19821 4855 1 17 . 1 1 45 45 GLN H H 45 8.626 8.626 8.304 0.322 19821 4856 1 17 . 1 1 46 46 ARG N N 46 117.047 117.047 120.893 -3.846 19821 4857 1 17 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.573 -0.404 19821 4858 1 17 . 1 1 46 46 ARG CA C 46 56.641 56.641 59.498 -2.857 19821 4859 1 17 . 1 1 46 46 ARG H H 46 7.628 7.628 8.252 -0.624 19821 4860 1 17 . 1 1 47 47 GLY N N 47 109.401 109.401 107.097 2.304 19821 4861 1 17 . 1 1 47 47 GLY CA C 47 46.128 46.128 47.449 -1.321 19821 4862 1 17 . 1 1 47 47 GLY H H 47 7.763 7.763 8.228 -0.465 19821 4863 1 17 . 1 1 48 48 VAL N N 48 118.932 118.932 117.045 1.887 19821 4864 1 17 . 1 1 48 48 VAL HA H 48 3.801 3.801 3.992 -0.191 19821 4865 1 17 . 1 1 48 48 VAL CA C 48 64.168 64.168 63.256 0.912 19821 4866 1 17 . 1 1 48 48 VAL H H 48 7.787 7.787 7.947 -0.160 19821 4867 1 17 . 1 1 49 49 ILE N N 49 110.494 110.494 117.046 -6.552 19821 4868 1 17 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.933 1.281 19821 4869 1 17 . 1 1 49 49 ILE CA C 49 58.075 58.075 61.566 -3.491 19821 4870 1 17 . 1 1 49 49 ILE H H 49 6.766 6.766 7.893 -1.127 19821 4871 1 17 . 1 1 50 50 TYR N N 50 120.330 120.330 118.909 1.421 19821 4872 1 17 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.387 0.497 19821 4873 1 17 . 1 1 50 50 TYR CA C 50 55.805 55.805 60.004 -4.199 19821 4874 1 17 . 1 1 50 50 TYR H H 50 9.025 9.025 8.317 0.708 19821 4875 1 17 . 1 1 51 51 ARG N N 51 120.608 120.608 111.893 8.715 19821 4876 1 17 . 1 1 51 51 ARG HA H 51 4.957 4.957 4.647 0.310 19821 4877 1 17 . 1 1 51 51 ARG CA C 51 53.834 53.834 53.990 -0.157 19821 4878 1 17 . 1 1 51 51 ARG H H 51 8.511 8.511 7.328 1.183 19821 4879 1 17 . 1 1 52 52 LYS N N 52 121.992 121.992 121.402 0.590 19821 4880 1 17 . 1 1 52 52 LYS HA H 52 4.371 4.371 4.877 -0.506 19821 4881 1 17 . 1 1 52 52 LYS CA C 52 55.626 55.626 53.068 2.558 19821 4882 1 17 . 1 1 52 52 LYS H H 52 8.324 8.324 9.015 -0.691 19821 4883 1 17 . 1 1 53 53 TRP N N 53 121.803 121.803 126.885 -5.082 19821 4884 1 17 . 1 1 53 53 TRP HA H 53 4.996 4.996 4.596 0.400 19821 4885 1 17 . 1 1 53 53 TRP CA C 53 56.462 56.462 57.136 -0.674 19821 4886 1 17 . 1 1 53 53 TRP H H 53 8.457 8.457 8.618 -0.161 19821 4887 1 17 . 1 1 54 54 ARG N N 54 127.059 127.059 128.064 -1.005 19821 4888 1 17 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.614 -0.152 19821 4889 1 17 . 1 1 54 54 ARG CA C 54 55.088 55.088 54.877 0.211 19821 4890 1 17 . 1 1 54 54 ARG H H 54 9.555 9.555 8.493 1.062 19821 4891 1 17 . 1 1 55 55 HIS N N 55 127.930 127.930 121.288 6.642 19821 4892 1 17 . 1 1 55 55 HIS HA H 55 5.089 5.089 5.249 -0.160 19821 4893 1 17 . 1 1 55 55 HIS CA C 55 55.984 55.984 55.641 0.343 19821 4894 1 17 . 1 1 55 55 HIS H H 55 9.019 9.019 8.828 0.191 19821 4895 1 17 . 1 1 56 56 PHE N N 56 125.912 125.912 122.134 3.778 19821 4896 1 17 . 1 1 56 56 PHE HA H 56 4.627 4.627 5.069 -0.442 19821 4897 1 17 . 1 1 56 56 PHE CA C 56 58.195 58.195 57.390 0.805 19821 4898 1 17 . 1 1 56 56 PHE H H 56 8.707 8.707 9.113 -0.406 19821 4899 1 17 . 1 1 57 57 SER N N 57 124.434 124.434 123.662 0.772 19821 4900 1 17 . 1 1 57 57 SER HA H 57 3.727 3.727 5.232 -1.505 19821 4901 1 17 . 1 1 57 57 SER CA C 57 58.433 58.433 58.158 0.275 19821 4902 1 17 . 1 1 57 57 SER H H 57 8.829 8.829 8.910 -0.081 19821 4903 1 17 . 1 1 58 58 GLY N N 58 108.465 108.465 111.210 -2.745 19821 4904 1 17 . 1 1 58 58 GLY CA C 58 45.769 45.769 44.425 1.343 19821 4905 1 17 . 1 1 58 58 GLY H H 58 8.456 8.456 8.439 0.017 19821 4906 1 17 . 1 1 59 59 ARG N N 59 122.424 122.424 122.115 0.309 19821 4907 1 17 . 1 1 59 59 ARG HA H 59 4.381 4.381 4.090 0.291 19821 4908 1 17 . 1 1 59 59 ARG CA C 59 54.849 54.849 56.782 -1.933 19821 4909 1 17 . 1 1 59 59 ARG H H 59 7.803 7.803 9.356 -1.553 19821 4910 1 17 . 1 1 60 60 LYS N N 60 121.613 121.613 116.832 4.781 19821 4911 1 17 . 1 1 60 60 LYS HA H 60 5.041 5.041 4.053 0.988 19821 4912 1 17 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.242 -1.120 19821 4913 1 17 . 1 1 60 60 LYS H H 60 7.912 7.912 8.543 -0.631 19821 4914 1 17 . 1 1 61 61 TYR N N 61 122.435 122.435 118.997 3.438 19821 4915 1 17 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.622 0.280 19821 4916 1 17 . 1 1 61 61 TYR CA C 61 56.522 56.522 55.706 0.816 19821 4917 1 17 . 1 1 61 61 TYR H H 61 8.883 8.883 7.356 1.527 19821 4918 1 17 . 1 1 62 62 ARG N N 62 127.580 127.580 122.976 4.604 19821 4919 1 17 . 1 1 62 62 ARG HA H 62 3.766 3.766 4.420 -0.654 19821 4920 1 17 . 1 1 62 62 ARG CA C 62 56.402 56.402 55.831 0.571 19821 4921 1 17 . 1 1 62 62 ARG H H 62 9.197 9.197 8.338 0.859 19821 4922 1 17 . 1 1 63 63 GLU N N 63 124.048 124.048 125.280 -1.232 19821 4923 1 17 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.473 -0.047 19821 4924 1 17 . 1 1 63 63 GLU CA C 63 53.834 53.834 54.828 -0.994 19821 4925 1 17 . 1 1 63 63 GLU H H 63 8.525 8.525 9.163 -0.638 19821 4926 1 17 . 1 1 64 64 TYR N N 64 121.860 121.860 122.311 -0.451 19821 4927 1 17 . 1 1 64 64 TYR HA H 64 4.536 4.536 4.413 0.123 19821 4928 1 17 . 1 1 64 64 TYR CA C 64 57.358 57.358 57.575 -0.217 19821 4929 1 17 . 1 1 64 64 TYR H H 64 8.578 8.578 8.903 -0.325 19821 4930 1 17 . 1 1 65 65 CYS N N 65 119.180 119.180 123.795 -4.615 19821 4931 1 17 . 1 1 65 65 CYS HA H 65 4.756 4.756 4.753 0.003 19821 4932 1 17 . 1 1 65 65 CYS CA C 65 53.177 53.177 57.541 -4.364 19821 4933 1 17 . 1 1 65 65 CYS H H 65 8.313 8.313 8.496 -0.183 19821 4934 1 17 . 1 1 66 66 LEU N N 66 125.298 125.298 121.293 4.005 19821 4935 1 17 . 1 1 66 66 LEU HA H 66 4.151 4.151 5.034 -0.883 19821 4936 1 17 . 1 1 66 66 LEU CA C 66 55.805 55.805 53.590 2.215 19821 4937 1 17 . 1 1 66 66 LEU H H 66 8.917 8.917 9.024 -0.107 19821 4938 1 17 . 1 1 67 67 LYS N N 67 126.834 126.834 118.823 8.011 19821 4939 1 17 . 1 1 67 67 LYS HA H 67 4.169 4.169 5.346 -1.177 19821 4940 1 17 . 1 1 67 67 LYS CA C 67 57.478 57.478 52.185 5.293 19821 4941 1 17 . 1 1 67 67 LYS H H 67 7.966 7.966 9.198 -1.232 19821 4942 1 17 . 1 1 68 68 HIS N N 68 122.718 122.718 118.816 3.902 19821 4943 1 17 . 1 1 68 68 HIS HA H 68 4.583 4.583 4.300 0.283 19821 4944 1 17 . 1 1 68 68 HIS CA C 68 55.566 55.566 57.183 -1.617 19821 4945 1 17 . 1 1 68 68 HIS H H 68 8.648 8.648 8.275 0.373 19821 4946 1 17 . 1 1 69 69 ARG N N 69 125.371 125.371 118.965 6.406 19821 4947 1 17 . 1 1 69 69 ARG HA H 69 4.093 4.093 2.756 1.337 19821 4948 1 17 . 1 1 69 69 ARG CA C 69 56.940 56.940 57.062 -0.122 19821 4949 1 17 . 1 1 69 69 ARG H H 69 8.334 8.334 7.572 0.762 19821 4950 1 17 . 1 1 70 70 ASP N N 70 123.332 123.332 119.635 3.697 19821 4951 1 17 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.515 -0.088 19821 4952 1 17 . 1 1 70 70 ASP CA C 70 54.908 54.908 54.530 0.378 19821 4953 1 17 . 1 1 70 70 ASP H H 70 8.400 8.400 7.837 0.563 19821 4954 1 17 . 1 1 71 71 GLU N N 71 123.365 123.365 121.291 2.074 19821 4955 1 17 . 1 1 71 71 GLU HA H 71 4.077 4.077 4.098 -0.021 19821 4956 1 17 . 1 1 71 71 GLU CA C 71 57.484 57.484 57.631 -0.147 19821 4957 1 17 . 1 1 71 71 GLU H H 71 8.300 8.300 8.722 -0.422 19821 4958 1 17 . 1 1 72 72 LEU N N 72 123.444 123.444 127.537 -4.093 19821 4959 1 17 . 1 1 72 72 LEU HA H 72 4.114 4.114 4.043 0.071 19821 4960 1 17 . 1 1 72 72 LEU CA C 72 55.865 55.865 58.683 -2.818 19821 4961 1 17 . 1 1 72 72 LEU H H 72 8.038 8.038 8.801 -0.763 19821 4962 1 17 . 1 1 73 73 ALA N N 73 125.204 125.204 122.148 3.056 19821 4963 1 17 . 1 1 73 73 ALA HA H 73 4.041 4.041 4.046 -0.005 19821 4964 1 17 . 1 1 73 73 ALA CA C 73 53.475 53.475 54.876 -1.401 19821 4965 1 17 . 1 1 73 73 ALA H H 73 7.890 7.890 8.352 -0.462 19821 4966 1 17 . 1 1 74 74 ASP N N 74 120.369 120.369 120.104 0.265 19821 4967 1 17 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.387 0.020 19821 4968 1 17 . 1 1 74 74 ASP CA C 74 54.790 54.790 56.633 -1.843 19821 4969 1 17 . 1 1 74 74 ASP H H 74 7.980 7.980 7.946 0.034 19821 4970 1 17 . 1 1 75 75 LEU N N 75 123.629 123.629 119.702 3.927 19821 4971 1 17 . 1 1 75 75 LEU HA H 75 3.978 3.978 4.015 -0.037 19821 4972 1 17 . 1 1 75 75 LEU CA C 75 56.343 56.343 57.943 -1.600 19821 4973 1 17 . 1 1 75 75 LEU H H 75 7.902 7.902 8.687 -0.785 19821 4974 1 17 . 1 1 76 76 GLU N N 76 120.501 120.501 118.613 1.888 19821 4975 1 17 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.155 -0.206 19821 4976 1 17 . 1 1 76 76 GLU CA C 76 57.239 57.239 59.022 -1.783 19821 4977 1 17 . 1 1 76 76 GLU H H 76 7.994 7.994 8.003 -0.009 19821 4978 1 17 . 1 1 77 77 HIS N N 77 119.010 119.010 117.500 1.510 19821 4979 1 17 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.352 0.047 19821 4980 1 17 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.313 -2.269 19821 4981 1 17 . 1 1 77 77 HIS H H 77 7.959 7.959 7.883 0.076 19821 4982 1 18 . 1 1 4 4 LEU N N 4 125.414 125.414 121.529 3.885 19821 4983 1 18 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.094 0.258 19821 4984 1 18 . 1 1 4 4 LEU CA C 4 54.670 54.670 56.971 -2.301 19821 4985 1 18 . 1 1 4 4 LEU H H 4 7.844 7.844 8.450 -0.606 19821 4986 1 18 . 1 1 5 5 SER N N 5 120.078 120.078 111.814 8.264 19821 4987 1 18 . 1 1 5 5 SER HA H 5 4.279 4.279 4.242 0.037 19821 4988 1 18 . 1 1 5 5 SER CA C 5 57.119 57.119 58.908 -1.789 19821 4989 1 18 . 1 1 5 5 SER H H 5 8.615 8.615 7.985 0.630 19821 4990 1 18 . 1 1 6 6 LEU N N 6 124.468 124.468 119.196 5.272 19821 4991 1 18 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.619 -0.696 19821 4992 1 18 . 1 1 6 6 LEU CA C 6 58.493 58.493 53.741 4.752 19821 4993 1 18 . 1 1 6 6 LEU H H 6 8.719 8.719 7.486 1.233 19821 4994 1 18 . 1 1 7 7 THR N N 7 115.018 115.018 115.087 -0.069 19821 4995 1 18 . 1 1 7 7 THR HA H 7 3.344 3.344 4.351 -1.007 19821 4996 1 18 . 1 1 7 7 THR CA C 7 68.469 68.469 61.532 6.937 19821 4997 1 18 . 1 1 7 7 THR H H 7 7.986 7.986 8.883 -0.897 19821 4998 1 18 . 1 1 8 8 GLN N N 8 120.628 120.628 118.703 1.925 19821 4999 1 18 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.136 -0.407 19821 5000 1 18 . 1 1 8 8 GLN CA C 8 59.628 59.628 58.774 0.854 19821 5001 1 18 . 1 1 8 8 GLN H H 8 7.398 7.398 8.731 -1.333 19821 5002 1 18 . 1 1 9 9 LEU N N 9 121.103 121.103 118.046 3.057 19821 5003 1 18 . 1 1 9 9 LEU HA H 9 3.959 3.959 4.098 -0.139 19821 5004 1 18 . 1 1 9 9 LEU CA C 9 58.553 58.553 58.145 0.408 19821 5005 1 18 . 1 1 9 9 LEU H H 9 8.324 8.324 7.527 0.797 19821 5006 1 18 . 1 1 10 10 ILE N N 10 119.788 119.788 122.660 -2.872 19821 5007 1 18 . 1 1 10 10 ILE HA H 10 3.226 3.226 3.889 -0.663 19821 5008 1 18 . 1 1 10 10 ILE CA C 10 66.319 66.319 64.844 1.475 19821 5009 1 18 . 1 1 10 10 ILE H H 10 8.149 8.149 8.069 0.080 19821 5010 1 18 . 1 1 11 11 LEU N N 11 119.842 119.842 120.183 -0.341 19821 5011 1 18 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.253 -0.561 19821 5012 1 18 . 1 1 11 11 LEU CA C 11 58.911 58.911 58.038 0.873 19821 5013 1 18 . 1 1 11 11 LEU H H 11 7.847 7.847 8.062 -0.215 19821 5014 1 18 . 1 1 12 12 ILE N N 12 123.069 123.069 119.720 3.349 19821 5015 1 18 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.649 -0.130 19821 5016 1 18 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.510 -0.267 19821 5017 1 18 . 1 1 12 12 ILE H H 12 8.323 8.323 7.535 0.788 19821 5018 1 18 . 1 1 13 13 ARG N N 13 124.216 124.216 119.171 5.045 19821 5019 1 18 . 1 1 13 13 ARG HA H 13 3.619 3.619 3.915 -0.296 19821 5020 1 18 . 1 1 13 13 ARG CA C 13 57.717 57.717 59.266 -1.549 19821 5021 1 18 . 1 1 13 13 ARG H H 13 7.796 7.796 7.859 -0.063 19821 5022 1 18 . 1 1 14 14 LEU N N 14 118.657 118.657 120.297 -1.640 19821 5023 1 18 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.771 0.600 19821 5024 1 18 . 1 1 14 14 LEU CA C 14 56.641 56.641 58.874 -2.233 19821 5025 1 18 . 1 1 14 14 LEU H H 14 8.450 8.450 8.206 0.244 19821 5026 1 18 . 1 1 15 15 SER N N 15 116.873 116.873 115.196 1.677 19821 5027 1 18 . 1 1 15 15 SER HA H 15 3.949 3.949 3.686 0.263 19821 5028 1 18 . 1 1 15 15 SER CA C 15 61.540 61.540 60.292 1.248 19821 5029 1 18 . 1 1 15 15 SER H H 15 7.864 7.864 7.514 0.350 19821 5030 1 18 . 1 1 16 16 ASN N N 16 118.994 118.994 115.949 3.045 19821 5031 1 18 . 1 1 16 16 ASN HA H 16 4.491 4.491 4.457 0.034 19821 5032 1 18 . 1 1 16 16 ASN CA C 16 55.626 55.626 55.082 0.544 19821 5033 1 18 . 1 1 16 16 ASN H H 16 7.804 7.804 8.385 -0.581 19821 5034 1 18 . 1 1 17 17 ARG N N 17 117.557 117.557 119.745 -2.188 19821 5035 1 18 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.121 0.176 19821 5036 1 18 . 1 1 17 17 ARG CA C 17 54.610 54.610 59.266 -4.656 19821 5037 1 18 . 1 1 17 17 ARG H H 17 8.343 8.343 8.100 0.243 19821 5038 1 18 . 1 1 18 18 GLY N N 18 110.623 110.623 107.966 2.657 19821 5039 1 18 . 1 1 18 18 GLY CA C 18 44.455 44.455 47.472 -3.018 19821 5040 1 18 . 1 1 18 18 GLY H H 18 7.303 7.303 7.704 -0.401 19821 5041 1 18 . 1 1 19 19 CYS N N 19 117.667 117.667 114.839 2.828 19821 5042 1 18 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.673 0.229 19821 5043 1 18 . 1 1 19 19 CYS CA C 19 58.254 58.254 58.425 -0.171 19821 5044 1 18 . 1 1 19 19 CYS H H 19 7.950 7.950 7.871 0.079 19821 5045 1 18 . 1 1 20 20 GLN N N 20 121.882 121.882 120.143 1.739 19821 5046 1 18 . 1 1 20 20 GLN HA H 20 5.104 5.104 4.028 1.076 19821 5047 1 18 . 1 1 20 20 GLN CA C 20 53.714 53.714 56.310 -2.596 19821 5048 1 18 . 1 1 20 20 GLN H H 20 8.615 8.615 8.405 0.210 19821 5049 1 18 . 1 1 21 21 THR N N 21 116.183 116.183 116.474 -0.291 19821 5050 1 18 . 1 1 21 21 THR HA H 21 4.847 4.847 5.120 -0.273 19821 5051 1 18 . 1 1 21 21 THR CA C 21 60.763 60.763 60.646 0.117 19821 5052 1 18 . 1 1 21 21 THR H H 21 9.557 9.557 7.419 2.138 19821 5053 1 18 . 1 1 22 22 LEU N N 22 123.325 123.325 126.386 -3.061 19821 5054 1 18 . 1 1 22 22 LEU HA H 22 3.777 3.777 5.275 -1.498 19821 5055 1 18 . 1 1 22 22 LEU CA C 22 59.270 59.270 52.579 6.691 19821 5056 1 18 . 1 1 22 22 LEU H H 22 9.257 9.257 8.719 0.538 19821 5057 1 18 . 1 1 23 23 GLU N N 23 120.097 120.097 117.989 2.108 19821 5058 1 18 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.480 -0.557 19821 5059 1 18 . 1 1 23 23 GLU CA C 23 61.241 61.241 55.175 6.066 19821 5060 1 18 . 1 1 23 23 GLU H H 23 9.030 9.030 9.312 -0.282 19821 5061 1 18 . 1 1 24 24 GLU N N 24 122.438 122.438 122.517 -0.079 19821 5062 1 18 . 1 1 24 24 GLU HA H 24 3.912 3.912 3.977 -0.065 19821 5063 1 18 . 1 1 24 24 GLU CA C 24 59.270 59.270 60.209 -0.939 19821 5064 1 18 . 1 1 24 24 GLU H H 24 7.734 7.734 9.280 -1.546 19821 5065 1 18 . 1 1 25 25 LEU N N 25 123.263 123.263 118.672 4.591 19821 5066 1 18 . 1 1 25 25 LEU HA H 25 4.132 4.132 4.169 -0.037 19821 5067 1 18 . 1 1 25 25 LEU CA C 25 58.314 58.314 57.899 0.415 19821 5068 1 18 . 1 1 25 25 LEU H H 25 8.350 8.350 8.277 0.073 19821 5069 1 18 . 1 1 26 26 GLU N N 26 129.504 129.504 120.338 9.166 19821 5070 1 18 . 1 1 26 26 GLU HA H 26 3.601 3.601 4.112 -0.511 19821 5071 1 18 . 1 1 26 26 GLU CA C 26 60.942 60.942 59.094 1.848 19821 5072 1 18 . 1 1 26 26 GLU H H 26 9.362 9.362 7.990 1.372 19821 5073 1 18 . 1 1 27 27 GLU N N 27 121.392 121.392 118.150 3.242 19821 5074 1 18 . 1 1 27 27 GLU HA H 27 3.857 3.857 4.113 -0.256 19821 5075 1 18 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.252 0.137 19821 5076 1 18 . 1 1 27 27 GLU H H 27 7.741 7.741 8.640 -0.899 19821 5077 1 18 . 1 1 28 28 PHE N N 28 117.204 117.204 120.513 -3.309 19821 5078 1 18 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.127 0.170 19821 5079 1 18 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.382 -0.559 19821 5080 1 18 . 1 1 28 28 PHE H H 28 7.392 7.392 8.280 -0.888 19821 5081 1 18 . 1 1 29 29 THR N N 29 107.601 107.601 113.885 -6.284 19821 5082 1 18 . 1 1 29 29 THR HA H 29 3.472 3.472 4.052 -0.580 19821 5083 1 18 . 1 1 29 29 THR CA C 29 63.989 63.989 64.711 -0.722 19821 5084 1 18 . 1 1 29 29 THR H H 29 8.220 8.220 7.706 0.514 19821 5085 1 18 . 1 1 30 30 GLN N N 30 116.862 116.862 119.139 -2.277 19821 5086 1 18 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.172 -0.443 19821 5087 1 18 . 1 1 30 30 GLN CA C 30 57.478 57.478 58.752 -1.274 19821 5088 1 18 . 1 1 30 30 GLN H H 30 7.974 7.974 7.829 0.145 19821 5089 1 18 . 1 1 31 31 ALA N N 31 122.778 122.778 121.836 0.942 19821 5090 1 18 . 1 1 31 31 ALA HA H 31 4.213 4.213 4.074 0.139 19821 5091 1 18 . 1 1 31 31 ALA CA C 31 51.265 51.265 55.231 -3.966 19821 5092 1 18 . 1 1 31 31 ALA H H 31 7.384 7.384 7.965 -0.581 19821 5093 1 18 . 1 1 32 32 LYS N N 32 121.107 121.107 116.762 4.345 19821 5094 1 18 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.969 0.090 19821 5095 1 18 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.012 -0.729 19821 5096 1 18 . 1 1 32 32 LYS H H 32 8.194 8.194 7.867 0.327 19821 5097 1 18 . 1 1 33 33 ARG N N 33 126.754 126.754 118.159 8.595 19821 5098 1 18 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.631 -0.362 19821 5099 1 18 . 1 1 33 33 ARG CA C 33 61.002 61.002 55.580 5.422 19821 5100 1 18 . 1 1 33 33 ARG H H 33 8.690 8.690 7.709 0.981 19821 5101 1 18 . 1 1 34 34 GLU N N 34 117.537 117.537 119.493 -1.956 19821 5102 1 18 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.286 -0.429 19821 5103 1 18 . 1 1 34 34 GLU CA C 34 60.619 60.619 56.456 4.163 19821 5104 1 18 . 1 1 34 34 GLU H H 34 9.236 9.236 8.487 0.749 19821 5105 1 18 . 1 1 35 35 VAL N N 35 121.054 121.054 123.088 -2.034 19821 5106 1 18 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.708 -0.034 19821 5107 1 18 . 1 1 35 35 VAL CA C 35 65.064 65.064 66.440 -1.376 19821 5108 1 18 . 1 1 35 35 VAL H H 35 6.681 6.681 8.834 -2.153 19821 5109 1 18 . 1 1 36 36 LEU N N 36 126.417 126.417 121.708 4.709 19821 5110 1 18 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.121 -0.502 19821 5111 1 18 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.944 0.848 19821 5112 1 18 . 1 1 36 36 LEU H H 36 8.140 8.140 8.514 -0.374 19821 5113 1 18 . 1 1 37 37 LEU N N 37 120.272 120.272 116.627 3.645 19821 5114 1 18 . 1 1 37 37 LEU HA H 37 3.766 3.766 4.069 -0.303 19821 5115 1 18 . 1 1 37 37 LEU CA C 37 58.911 58.911 57.553 1.358 19821 5116 1 18 . 1 1 37 37 LEU H H 37 8.492 8.492 7.943 0.549 19821 5117 1 18 . 1 1 38 38 VAL N N 38 122.614 122.614 120.329 2.285 19821 5118 1 18 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.808 -0.207 19821 5119 1 18 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.121 1.795 19821 5120 1 18 . 1 1 38 38 VAL H H 38 7.508 7.508 7.799 -0.291 19821 5121 1 18 . 1 1 39 39 THR N N 39 120.141 120.141 112.244 7.897 19821 5122 1 18 . 1 1 39 39 THR HA H 39 3.678 3.678 3.847 -0.169 19821 5123 1 18 . 1 1 39 39 THR CA C 39 67.812 67.812 65.070 2.742 19821 5124 1 18 . 1 1 39 39 THR H H 39 7.626 7.626 7.853 -0.227 19821 5125 1 18 . 1 1 40 40 LEU N N 40 123.404 123.404 120.910 2.494 19821 5126 1 18 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.779 -0.150 19821 5127 1 18 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.638 -1.204 19821 5128 1 18 . 1 1 40 40 LEU H H 40 8.644 8.644 7.953 0.691 19821 5129 1 18 . 1 1 41 41 THR N N 41 119.278 119.278 113.857 5.421 19821 5130 1 18 . 1 1 41 41 THR HA H 41 3.839 3.839 4.090 -0.251 19821 5131 1 18 . 1 1 41 41 THR CA C 41 67.573 67.573 65.605 1.968 19821 5132 1 18 . 1 1 41 41 THR H H 41 8.169 8.169 7.696 0.473 19821 5133 1 18 . 1 1 42 42 ARG N N 42 124.625 124.625 121.756 2.869 19821 5134 1 18 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.906 0.098 19821 5135 1 18 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.240 0.627 19821 5136 1 18 . 1 1 42 42 ARG H H 42 7.748 7.748 8.537 -0.789 19821 5137 1 18 . 1 1 43 43 LEU N N 43 120.115 120.115 122.311 -2.196 19821 5138 1 18 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.118 -0.224 19821 5139 1 18 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.403 -2.268 19821 5140 1 18 . 1 1 43 43 LEU H H 43 7.963 7.963 8.256 -0.293 19821 5141 1 18 . 1 1 44 44 HIS N N 44 123.297 123.297 120.423 2.874 19821 5142 1 18 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.295 0.112 19821 5143 1 18 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.644 0.044 19821 5144 1 18 . 1 1 44 44 HIS H H 44 8.454 8.454 7.841 0.613 19821 5145 1 18 . 1 1 45 45 GLN N N 45 124.648 124.648 117.851 6.797 19821 5146 1 18 . 1 1 45 45 GLN HA H 45 3.821 3.821 3.967 -0.146 19821 5147 1 18 . 1 1 45 45 GLN CA C 45 59.270 59.270 58.928 0.342 19821 5148 1 18 . 1 1 45 45 GLN H H 45 8.626 8.626 8.309 0.317 19821 5149 1 18 . 1 1 46 46 ARG N N 46 117.047 117.047 120.609 -3.562 19821 5150 1 18 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.512 -0.343 19821 5151 1 18 . 1 1 46 46 ARG CA C 46 56.641 56.641 59.278 -2.637 19821 5152 1 18 . 1 1 46 46 ARG H H 46 7.628 7.628 8.186 -0.558 19821 5153 1 18 . 1 1 47 47 GLY N N 47 109.401 109.401 108.187 1.214 19821 5154 1 18 . 1 1 47 47 GLY CA C 47 46.128 46.128 47.349 -1.221 19821 5155 1 18 . 1 1 47 47 GLY H H 47 7.763 7.763 8.465 -0.702 19821 5156 1 18 . 1 1 48 48 VAL N N 48 118.932 118.932 116.551 2.381 19821 5157 1 18 . 1 1 48 48 VAL HA H 48 3.801 3.801 4.123 -0.322 19821 5158 1 18 . 1 1 48 48 VAL CA C 48 64.168 64.168 62.295 1.873 19821 5159 1 18 . 1 1 48 48 VAL H H 48 7.787 7.787 7.672 0.115 19821 5160 1 18 . 1 1 49 49 ILE N N 49 110.494 110.494 118.566 -8.072 19821 5161 1 18 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.866 1.348 19821 5162 1 18 . 1 1 49 49 ILE CA C 49 58.075 58.075 61.967 -3.892 19821 5163 1 18 . 1 1 49 49 ILE H H 49 6.766 6.766 7.595 -0.829 19821 5164 1 18 . 1 1 50 50 TYR N N 50 120.330 120.330 118.584 1.746 19821 5165 1 18 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.618 0.266 19821 5166 1 18 . 1 1 50 50 TYR CA C 50 55.805 55.805 59.350 -3.545 19821 5167 1 18 . 1 1 50 50 TYR H H 50 9.025 9.025 8.301 0.724 19821 5168 1 18 . 1 1 51 51 ARG N N 51 120.608 120.608 113.159 7.449 19821 5169 1 18 . 1 1 51 51 ARG HA H 51 4.957 4.957 5.428 -0.471 19821 5170 1 18 . 1 1 51 51 ARG CA C 51 53.834 53.834 53.322 0.512 19821 5171 1 18 . 1 1 51 51 ARG H H 51 8.511 8.511 7.529 0.982 19821 5172 1 18 . 1 1 52 52 LYS N N 52 121.992 121.992 115.982 6.010 19821 5173 1 18 . 1 1 52 52 LYS HA H 52 4.371 4.371 4.950 -0.579 19821 5174 1 18 . 1 1 52 52 LYS CA C 52 55.626 55.626 54.319 1.307 19821 5175 1 18 . 1 1 52 52 LYS H H 52 8.324 8.324 8.765 -0.441 19821 5176 1 18 . 1 1 53 53 TRP N N 53 121.803 121.803 123.543 -1.740 19821 5177 1 18 . 1 1 53 53 TRP HA H 53 4.996 4.996 5.248 -0.252 19821 5178 1 18 . 1 1 53 53 TRP CA C 53 56.462 56.462 55.752 0.710 19821 5179 1 18 . 1 1 53 53 TRP H H 53 8.457 8.457 8.254 0.203 19821 5180 1 18 . 1 1 54 54 ARG N N 54 127.059 127.059 127.243 -0.184 19821 5181 1 18 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.691 -0.229 19821 5182 1 18 . 1 1 54 54 ARG CA C 54 55.088 55.088 55.057 0.031 19821 5183 1 18 . 1 1 54 54 ARG H H 54 9.555 9.555 8.741 0.814 19821 5184 1 18 . 1 1 55 55 HIS N N 55 127.930 127.930 121.226 6.704 19821 5185 1 18 . 1 1 55 55 HIS HA H 55 5.089 5.089 4.982 0.107 19821 5186 1 18 . 1 1 55 55 HIS CA C 55 55.984 55.984 56.431 -0.447 19821 5187 1 18 . 1 1 55 55 HIS H H 55 9.019 9.019 8.791 0.228 19821 5188 1 18 . 1 1 56 56 PHE N N 56 125.912 125.912 123.656 2.256 19821 5189 1 18 . 1 1 56 56 PHE HA H 56 4.627 4.627 5.045 -0.418 19821 5190 1 18 . 1 1 56 56 PHE CA C 56 58.195 58.195 56.726 1.469 19821 5191 1 18 . 1 1 56 56 PHE H H 56 8.707 8.707 9.050 -0.343 19821 5192 1 18 . 1 1 57 57 SER N N 57 124.434 124.434 123.715 0.719 19821 5193 1 18 . 1 1 57 57 SER HA H 57 3.727 3.727 4.543 -0.816 19821 5194 1 18 . 1 1 57 57 SER CA C 57 58.433 58.433 59.867 -1.433 19821 5195 1 18 . 1 1 57 57 SER H H 57 8.829 8.829 8.885 -0.056 19821 5196 1 18 . 1 1 58 58 GLY N N 58 108.465 108.465 115.745 -7.280 19821 5197 1 18 . 1 1 58 58 GLY CA C 58 45.769 45.769 45.386 0.383 19821 5198 1 18 . 1 1 58 58 GLY H H 58 8.456 8.456 8.388 0.068 19821 5199 1 18 . 1 1 59 59 ARG N N 59 122.424 122.424 127.122 -4.698 19821 5200 1 18 . 1 1 59 59 ARG HA H 59 4.381 4.381 3.747 0.634 19821 5201 1 18 . 1 1 59 59 ARG CA C 59 54.849 54.849 56.364 -1.516 19821 5202 1 18 . 1 1 59 59 ARG H H 59 7.803 7.803 8.884 -1.081 19821 5203 1 18 . 1 1 60 60 LYS N N 60 121.613 121.613 116.939 4.674 19821 5204 1 18 . 1 1 60 60 LYS HA H 60 5.041 5.041 4.047 0.994 19821 5205 1 18 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.052 -0.930 19821 5206 1 18 . 1 1 60 60 LYS H H 60 7.912 7.912 7.921 -0.009 19821 5207 1 18 . 1 1 61 61 TYR N N 61 122.435 122.435 120.626 1.809 19821 5208 1 18 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.666 0.236 19821 5209 1 18 . 1 1 61 61 TYR CA C 61 56.522 56.522 55.642 0.880 19821 5210 1 18 . 1 1 61 61 TYR H H 61 8.883 8.883 7.724 1.159 19821 5211 1 18 . 1 1 62 62 ARG N N 62 127.580 127.580 124.312 3.268 19821 5212 1 18 . 1 1 62 62 ARG HA H 62 3.766 3.766 4.803 -1.037 19821 5213 1 18 . 1 1 62 62 ARG CA C 62 56.402 56.402 56.105 0.297 19821 5214 1 18 . 1 1 62 62 ARG H H 62 9.197 9.197 8.407 0.790 19821 5215 1 18 . 1 1 63 63 GLU N N 63 124.048 124.048 123.280 0.768 19821 5216 1 18 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.605 -0.179 19821 5217 1 18 . 1 1 63 63 GLU CA C 63 53.834 53.834 54.806 -0.972 19821 5218 1 18 . 1 1 63 63 GLU H H 63 8.525 8.525 9.296 -0.771 19821 5219 1 18 . 1 1 64 64 TYR N N 64 121.860 121.860 121.700 0.160 19821 5220 1 18 . 1 1 64 64 TYR HA H 64 4.536 4.536 4.131 0.405 19821 5221 1 18 . 1 1 64 64 TYR CA C 64 57.358 57.358 58.192 -0.834 19821 5222 1 18 . 1 1 64 64 TYR H H 64 8.578 8.578 8.683 -0.105 19821 5223 1 18 . 1 1 65 65 CYS N N 65 119.180 119.180 121.299 -2.119 19821 5224 1 18 . 1 1 65 65 CYS HA H 65 4.756 4.756 4.703 0.053 19821 5225 1 18 . 1 1 65 65 CYS CA C 65 53.177 53.177 57.538 -4.362 19821 5226 1 18 . 1 1 65 65 CYS H H 65 8.313 8.313 8.330 -0.017 19821 5227 1 18 . 1 1 66 66 LEU N N 66 125.298 125.298 121.490 3.808 19821 5228 1 18 . 1 1 66 66 LEU HA H 66 4.151 4.151 4.811 -0.660 19821 5229 1 18 . 1 1 66 66 LEU CA C 66 55.805 55.805 53.830 1.975 19821 5230 1 18 . 1 1 66 66 LEU H H 66 8.917 8.917 9.050 -0.133 19821 5231 1 18 . 1 1 67 67 LYS N N 67 126.834 126.834 122.998 3.836 19821 5232 1 18 . 1 1 67 67 LYS HA H 67 4.169 4.169 5.021 -0.852 19821 5233 1 18 . 1 1 67 67 LYS CA C 67 57.478 57.478 53.129 4.349 19821 5234 1 18 . 1 1 67 67 LYS H H 67 7.966 7.966 8.881 -0.915 19821 5235 1 18 . 1 1 68 68 HIS N N 68 122.718 122.718 125.663 -2.945 19821 5236 1 18 . 1 1 68 68 HIS HA H 68 4.583 4.583 4.711 -0.128 19821 5237 1 18 . 1 1 68 68 HIS CA C 68 55.566 55.566 55.975 -0.409 19821 5238 1 18 . 1 1 68 68 HIS H H 68 8.648 8.648 8.416 0.232 19821 5239 1 18 . 1 1 69 69 ARG N N 69 125.371 125.371 124.706 0.665 19821 5240 1 18 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.355 -0.262 19821 5241 1 18 . 1 1 69 69 ARG CA C 69 56.940 56.940 58.579 -1.639 19821 5242 1 18 . 1 1 69 69 ARG H H 69 8.334 8.334 8.665 -0.331 19821 5243 1 18 . 1 1 70 70 ASP N N 70 123.332 123.332 119.413 3.919 19821 5244 1 18 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.730 -0.303 19821 5245 1 18 . 1 1 70 70 ASP CA C 70 54.908 54.908 52.363 2.545 19821 5246 1 18 . 1 1 70 70 ASP H H 70 8.400 8.400 8.037 0.363 19821 5247 1 18 . 1 1 71 71 GLU N N 71 123.365 123.365 127.767 -4.402 19821 5248 1 18 . 1 1 71 71 GLU HA H 71 4.077 4.077 3.910 0.167 19821 5249 1 18 . 1 1 71 71 GLU CA C 71 57.484 57.484 57.569 -0.085 19821 5250 1 18 . 1 1 71 71 GLU H H 71 8.300 8.300 8.892 -0.592 19821 5251 1 18 . 1 1 72 72 LEU N N 72 123.444 123.444 127.880 -4.436 19821 5252 1 18 . 1 1 72 72 LEU HA H 72 4.114 4.114 3.861 0.253 19821 5253 1 18 . 1 1 72 72 LEU CA C 72 55.865 55.865 58.330 -2.465 19821 5254 1 18 . 1 1 72 72 LEU H H 72 8.038 8.038 8.446 -0.408 19821 5255 1 18 . 1 1 73 73 ALA N N 73 125.204 125.204 123.645 1.559 19821 5256 1 18 . 1 1 73 73 ALA HA H 73 4.041 4.041 3.957 0.084 19821 5257 1 18 . 1 1 73 73 ALA CA C 73 53.475 53.475 55.390 -1.915 19821 5258 1 18 . 1 1 73 73 ALA H H 73 7.890 7.890 8.305 -0.415 19821 5259 1 18 . 1 1 74 74 ASP N N 74 120.369 120.369 117.934 2.435 19821 5260 1 18 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.361 0.046 19821 5261 1 18 . 1 1 74 74 ASP CA C 74 54.790 54.790 56.217 -1.427 19821 5262 1 18 . 1 1 74 74 ASP H H 74 7.980 7.980 8.027 -0.047 19821 5263 1 18 . 1 1 75 75 LEU N N 75 123.629 123.629 120.416 3.213 19821 5264 1 18 . 1 1 75 75 LEU HA H 75 3.978 3.978 3.703 0.275 19821 5265 1 18 . 1 1 75 75 LEU CA C 75 56.343 56.343 57.575 -1.232 19821 5266 1 18 . 1 1 75 75 LEU H H 75 7.902 7.902 8.150 -0.248 19821 5267 1 18 . 1 1 76 76 GLU N N 76 120.501 120.501 118.686 1.815 19821 5268 1 18 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.070 -0.121 19821 5269 1 18 . 1 1 76 76 GLU CA C 76 57.239 57.239 58.936 -1.697 19821 5270 1 18 . 1 1 76 76 GLU H H 76 7.994 7.994 7.913 0.081 19821 5271 1 18 . 1 1 77 77 HIS N N 77 119.010 119.010 117.954 1.056 19821 5272 1 18 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.310 0.089 19821 5273 1 18 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.578 -2.534 19821 5274 1 18 . 1 1 77 77 HIS H H 77 7.959 7.959 7.838 0.121 19821 5275 1 19 . 1 1 4 4 LEU N N 4 125.414 125.414 121.961 3.453 19821 5276 1 19 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.130 0.222 19821 5277 1 19 . 1 1 4 4 LEU CA C 4 54.670 54.670 56.892 -2.222 19821 5278 1 19 . 1 1 4 4 LEU H H 4 7.844 7.844 8.186 -0.342 19821 5279 1 19 . 1 1 5 5 SER N N 5 120.078 120.078 111.693 8.385 19821 5280 1 19 . 1 1 5 5 SER HA H 5 4.279 4.279 4.254 0.025 19821 5281 1 19 . 1 1 5 5 SER CA C 5 57.119 57.119 58.599 -1.480 19821 5282 1 19 . 1 1 5 5 SER H H 5 8.615 8.615 7.985 0.630 19821 5283 1 19 . 1 1 6 6 LEU N N 6 124.468 124.468 119.966 4.502 19821 5284 1 19 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.615 -0.692 19821 5285 1 19 . 1 1 6 6 LEU CA C 6 58.493 58.493 53.931 4.562 19821 5286 1 19 . 1 1 6 6 LEU H H 6 8.719 8.719 7.320 1.399 19821 5287 1 19 . 1 1 7 7 THR N N 7 115.018 115.018 115.505 -0.487 19821 5288 1 19 . 1 1 7 7 THR HA H 7 3.344 3.344 4.358 -1.014 19821 5289 1 19 . 1 1 7 7 THR CA C 7 68.469 68.469 61.199 7.270 19821 5290 1 19 . 1 1 7 7 THR H H 7 7.986 7.986 8.857 -0.871 19821 5291 1 19 . 1 1 8 8 GLN N N 8 120.628 120.628 119.745 0.883 19821 5292 1 19 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.152 -0.423 19821 5293 1 19 . 1 1 8 8 GLN CA C 8 59.628 59.628 59.112 0.516 19821 5294 1 19 . 1 1 8 8 GLN H H 8 7.398 7.398 8.818 -1.420 19821 5295 1 19 . 1 1 9 9 LEU N N 9 121.103 121.103 117.762 3.341 19821 5296 1 19 . 1 1 9 9 LEU HA H 9 3.959 3.959 4.141 -0.182 19821 5297 1 19 . 1 1 9 9 LEU CA C 9 58.553 58.553 57.810 0.743 19821 5298 1 19 . 1 1 9 9 LEU H H 9 8.324 8.324 7.595 0.729 19821 5299 1 19 . 1 1 10 10 ILE N N 10 119.788 119.788 122.788 -3.000 19821 5300 1 19 . 1 1 10 10 ILE HA H 10 3.226 3.226 3.921 -0.695 19821 5301 1 19 . 1 1 10 10 ILE CA C 10 66.319 66.319 64.621 1.698 19821 5302 1 19 . 1 1 10 10 ILE H H 10 8.149 8.149 7.933 0.216 19821 5303 1 19 . 1 1 11 11 LEU N N 11 119.842 119.842 120.222 -0.380 19821 5304 1 19 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.192 -0.500 19821 5305 1 19 . 1 1 11 11 LEU CA C 11 58.911 58.911 58.319 0.592 19821 5306 1 19 . 1 1 11 11 LEU H H 11 7.847 7.847 8.333 -0.486 19821 5307 1 19 . 1 1 12 12 ILE N N 12 123.069 123.069 118.726 4.343 19821 5308 1 19 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.685 -0.166 19821 5309 1 19 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.464 -0.221 19821 5310 1 19 . 1 1 12 12 ILE H H 12 8.323 8.323 7.354 0.969 19821 5311 1 19 . 1 1 13 13 ARG N N 13 124.216 124.216 119.256 4.960 19821 5312 1 19 . 1 1 13 13 ARG HA H 13 3.619 3.619 3.973 -0.354 19821 5313 1 19 . 1 1 13 13 ARG CA C 13 57.717 57.717 59.232 -1.515 19821 5314 1 19 . 1 1 13 13 ARG H H 13 7.796 7.796 8.012 -0.216 19821 5315 1 19 . 1 1 14 14 LEU N N 14 118.657 118.657 119.833 -1.176 19821 5316 1 19 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.887 0.484 19821 5317 1 19 . 1 1 14 14 LEU CA C 14 56.641 56.641 58.611 -1.970 19821 5318 1 19 . 1 1 14 14 LEU H H 14 8.450 8.450 8.368 0.082 19821 5319 1 19 . 1 1 15 15 SER N N 15 116.873 116.873 115.585 1.288 19821 5320 1 19 . 1 1 15 15 SER HA H 15 3.949 3.949 3.782 0.167 19821 5321 1 19 . 1 1 15 15 SER CA C 15 61.540 61.540 60.276 1.264 19821 5322 1 19 . 1 1 15 15 SER H H 15 7.864 7.864 7.564 0.300 19821 5323 1 19 . 1 1 16 16 ASN N N 16 118.994 118.994 116.995 1.999 19821 5324 1 19 . 1 1 16 16 ASN HA H 16 4.491 4.491 4.857 -0.366 19821 5325 1 19 . 1 1 16 16 ASN CA C 16 55.626 55.626 55.406 0.220 19821 5326 1 19 . 1 1 16 16 ASN H H 16 7.804 7.804 8.399 -0.595 19821 5327 1 19 . 1 1 17 17 ARG N N 17 117.557 117.557 119.600 -2.043 19821 5328 1 19 . 1 1 17 17 ARG HA H 17 4.297 4.297 3.947 0.350 19821 5329 1 19 . 1 1 17 17 ARG CA C 17 54.610 54.610 59.595 -4.985 19821 5330 1 19 . 1 1 17 17 ARG H H 17 8.343 8.343 7.971 0.372 19821 5331 1 19 . 1 1 18 18 GLY N N 18 110.623 110.623 109.257 1.366 19821 5332 1 19 . 1 1 18 18 GLY CA C 18 44.455 44.455 47.117 -2.662 19821 5333 1 19 . 1 1 18 18 GLY H H 18 7.303 7.303 7.589 -0.286 19821 5334 1 19 . 1 1 19 19 CYS N N 19 117.667 117.667 117.895 -0.228 19821 5335 1 19 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.731 0.171 19821 5336 1 19 . 1 1 19 19 CYS CA C 19 58.254 58.254 57.381 0.873 19821 5337 1 19 . 1 1 19 19 CYS H H 19 7.950 7.950 8.123 -0.173 19821 5338 1 19 . 1 1 20 20 GLN N N 20 121.882 121.882 123.767 -1.885 19821 5339 1 19 . 1 1 20 20 GLN HA H 20 5.104 5.104 4.155 0.949 19821 5340 1 19 . 1 1 20 20 GLN CA C 20 53.714 53.714 57.671 -3.957 19821 5341 1 19 . 1 1 20 20 GLN H H 20 8.615 8.615 8.803 -0.188 19821 5342 1 19 . 1 1 21 21 THR N N 21 116.183 116.183 114.237 1.946 19821 5343 1 19 . 1 1 21 21 THR HA H 21 4.847 4.847 4.742 0.105 19821 5344 1 19 . 1 1 21 21 THR CA C 21 60.763 60.763 61.010 -0.247 19821 5345 1 19 . 1 1 21 21 THR H H 21 9.557 9.557 7.840 1.717 19821 5346 1 19 . 1 1 22 22 LEU N N 22 123.325 123.325 126.356 -3.031 19821 5347 1 19 . 1 1 22 22 LEU HA H 22 3.777 3.777 4.877 -1.100 19821 5348 1 19 . 1 1 22 22 LEU CA C 22 59.270 59.270 52.726 6.544 19821 5349 1 19 . 1 1 22 22 LEU H H 22 9.257 9.257 8.739 0.518 19821 5350 1 19 . 1 1 23 23 GLU N N 23 120.097 120.097 117.932 2.165 19821 5351 1 19 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.469 -0.546 19821 5352 1 19 . 1 1 23 23 GLU CA C 23 61.241 61.241 54.624 6.617 19821 5353 1 19 . 1 1 23 23 GLU H H 23 9.030 9.030 9.329 -0.299 19821 5354 1 19 . 1 1 24 24 GLU N N 24 122.438 122.438 122.306 0.132 19821 5355 1 19 . 1 1 24 24 GLU HA H 24 3.912 3.912 4.053 -0.141 19821 5356 1 19 . 1 1 24 24 GLU CA C 24 59.270 59.270 60.224 -0.954 19821 5357 1 19 . 1 1 24 24 GLU H H 24 7.734 7.734 9.204 -1.470 19821 5358 1 19 . 1 1 25 25 LEU N N 25 123.263 123.263 118.911 4.352 19821 5359 1 19 . 1 1 25 25 LEU HA H 25 4.132 4.132 4.127 0.005 19821 5360 1 19 . 1 1 25 25 LEU CA C 25 58.314 58.314 58.035 0.279 19821 5361 1 19 . 1 1 25 25 LEU H H 25 8.350 8.350 8.285 0.065 19821 5362 1 19 . 1 1 26 26 GLU N N 26 129.504 129.504 120.345 9.159 19821 5363 1 19 . 1 1 26 26 GLU HA H 26 3.601 3.601 4.076 -0.475 19821 5364 1 19 . 1 1 26 26 GLU CA C 26 60.942 60.942 59.208 1.734 19821 5365 1 19 . 1 1 26 26 GLU H H 26 9.362 9.362 7.726 1.636 19821 5366 1 19 . 1 1 27 27 GLU N N 27 121.392 121.392 118.274 3.118 19821 5367 1 19 . 1 1 27 27 GLU HA H 27 3.857 3.857 4.030 -0.173 19821 5368 1 19 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.496 -0.107 19821 5369 1 19 . 1 1 27 27 GLU H H 27 7.741 7.741 8.566 -0.825 19821 5370 1 19 . 1 1 28 28 PHE N N 28 117.204 117.204 120.348 -3.144 19821 5371 1 19 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.043 0.254 19821 5372 1 19 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.638 -0.815 19821 5373 1 19 . 1 1 28 28 PHE H H 28 7.392 7.392 8.394 -1.002 19821 5374 1 19 . 1 1 29 29 THR N N 29 107.601 107.601 113.671 -6.070 19821 5375 1 19 . 1 1 29 29 THR HA H 29 3.472 3.472 4.040 -0.568 19821 5376 1 19 . 1 1 29 29 THR CA C 29 63.989 63.989 64.871 -0.882 19821 5377 1 19 . 1 1 29 29 THR H H 29 8.220 8.220 7.858 0.362 19821 5378 1 19 . 1 1 30 30 GLN N N 30 116.862 116.862 118.824 -1.962 19821 5379 1 19 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.150 -0.421 19821 5380 1 19 . 1 1 30 30 GLN CA C 30 57.478 57.478 58.326 -0.848 19821 5381 1 19 . 1 1 30 30 GLN H H 30 7.974 7.974 7.863 0.111 19821 5382 1 19 . 1 1 31 31 ALA N N 31 122.778 122.778 120.639 2.139 19821 5383 1 19 . 1 1 31 31 ALA HA H 31 4.213 4.213 4.099 0.114 19821 5384 1 19 . 1 1 31 31 ALA CA C 31 51.265 51.265 55.401 -4.136 19821 5385 1 19 . 1 1 31 31 ALA H H 31 7.384 7.384 8.136 -0.752 19821 5386 1 19 . 1 1 32 32 LYS N N 32 121.107 121.107 116.832 4.275 19821 5387 1 19 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.888 0.171 19821 5388 1 19 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.284 -1.001 19821 5389 1 19 . 1 1 32 32 LYS H H 32 8.194 8.194 8.048 0.146 19821 5390 1 19 . 1 1 33 33 ARG N N 33 126.754 126.754 118.876 7.878 19821 5391 1 19 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.635 -0.366 19821 5392 1 19 . 1 1 33 33 ARG CA C 33 61.002 61.002 54.917 6.085 19821 5393 1 19 . 1 1 33 33 ARG H H 33 8.690 8.690 7.819 0.871 19821 5394 1 19 . 1 1 34 34 GLU N N 34 117.537 117.537 121.779 -4.242 19821 5395 1 19 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.179 -0.322 19821 5396 1 19 . 1 1 34 34 GLU CA C 34 60.619 60.619 56.793 3.826 19821 5397 1 19 . 1 1 34 34 GLU H H 34 9.236 9.236 8.563 0.673 19821 5398 1 19 . 1 1 35 35 VAL N N 35 121.054 121.054 125.747 -4.693 19821 5399 1 19 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.703 -0.029 19821 5400 1 19 . 1 1 35 35 VAL CA C 35 65.064 65.064 66.287 -1.223 19821 5401 1 19 . 1 1 35 35 VAL H H 35 6.681 6.681 8.762 -2.081 19821 5402 1 19 . 1 1 36 36 LEU N N 36 126.417 126.417 121.351 5.066 19821 5403 1 19 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.115 -0.496 19821 5404 1 19 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.894 0.898 19821 5405 1 19 . 1 1 36 36 LEU H H 36 8.140 8.140 8.483 -0.343 19821 5406 1 19 . 1 1 37 37 LEU N N 37 120.272 120.272 120.585 -0.313 19821 5407 1 19 . 1 1 37 37 LEU HA H 37 3.766 3.766 3.911 -0.145 19821 5408 1 19 . 1 1 37 37 LEU CA C 37 58.911 58.911 57.984 0.927 19821 5409 1 19 . 1 1 37 37 LEU H H 37 8.492 8.492 7.941 0.551 19821 5410 1 19 . 1 1 38 38 VAL N N 38 122.614 122.614 120.273 2.341 19821 5411 1 19 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.727 -0.126 19821 5412 1 19 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.582 1.334 19821 5413 1 19 . 1 1 38 38 VAL H H 38 7.508 7.508 8.267 -0.759 19821 5414 1 19 . 1 1 39 39 THR N N 39 120.141 120.141 112.030 8.111 19821 5415 1 19 . 1 1 39 39 THR HA H 39 3.678 3.678 3.783 -0.105 19821 5416 1 19 . 1 1 39 39 THR CA C 39 67.812 67.812 65.329 2.483 19821 5417 1 19 . 1 1 39 39 THR H H 39 7.626 7.626 7.783 -0.157 19821 5418 1 19 . 1 1 40 40 LEU N N 40 123.404 123.404 121.479 1.925 19821 5419 1 19 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.773 -0.144 19821 5420 1 19 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.714 -1.280 19821 5421 1 19 . 1 1 40 40 LEU H H 40 8.644 8.644 8.359 0.285 19821 5422 1 19 . 1 1 41 41 THR N N 41 119.278 119.278 116.872 2.406 19821 5423 1 19 . 1 1 41 41 THR HA H 41 3.839 3.839 4.010 -0.171 19821 5424 1 19 . 1 1 41 41 THR CA C 41 67.573 67.573 67.299 0.273 19821 5425 1 19 . 1 1 41 41 THR H H 41 8.169 8.169 7.866 0.303 19821 5426 1 19 . 1 1 42 42 ARG N N 42 124.625 124.625 120.790 3.835 19821 5427 1 19 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.855 0.149 19821 5428 1 19 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.321 0.546 19821 5429 1 19 . 1 1 42 42 ARG H H 42 7.748 7.748 8.351 -0.603 19821 5430 1 19 . 1 1 43 43 LEU N N 43 120.115 120.115 122.392 -2.277 19821 5431 1 19 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.155 -0.261 19821 5432 1 19 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.394 -2.259 19821 5433 1 19 . 1 1 43 43 LEU H H 43 7.963 7.963 8.313 -0.350 19821 5434 1 19 . 1 1 44 44 HIS N N 44 123.297 123.297 120.590 2.707 19821 5435 1 19 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.318 0.089 19821 5436 1 19 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.698 -0.010 19821 5437 1 19 . 1 1 44 44 HIS H H 44 8.454 8.454 8.081 0.373 19821 5438 1 19 . 1 1 45 45 GLN N N 45 124.648 124.648 118.233 6.415 19821 5439 1 19 . 1 1 45 45 GLN HA H 45 3.821 3.821 4.014 -0.193 19821 5440 1 19 . 1 1 45 45 GLN CA C 45 59.270 59.270 58.898 0.372 19821 5441 1 19 . 1 1 45 45 GLN H H 45 8.626 8.626 8.385 0.241 19821 5442 1 19 . 1 1 46 46 ARG N N 46 117.047 117.047 120.553 -3.506 19821 5443 1 19 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.500 -0.331 19821 5444 1 19 . 1 1 46 46 ARG CA C 46 56.641 56.641 59.037 -2.396 19821 5445 1 19 . 1 1 46 46 ARG H H 46 7.628 7.628 8.335 -0.707 19821 5446 1 19 . 1 1 47 47 GLY N N 47 109.401 109.401 106.988 2.413 19821 5447 1 19 . 1 1 47 47 GLY CA C 47 46.128 46.128 46.948 -0.820 19821 5448 1 19 . 1 1 47 47 GLY H H 47 7.763 7.763 8.350 -0.587 19821 5449 1 19 . 1 1 48 48 VAL N N 48 118.932 118.932 119.251 -0.319 19821 5450 1 19 . 1 1 48 48 VAL HA H 48 3.801 3.801 3.992 -0.191 19821 5451 1 19 . 1 1 48 48 VAL CA C 48 64.168 64.168 62.497 1.671 19821 5452 1 19 . 1 1 48 48 VAL H H 48 7.787 7.787 7.883 -0.096 19821 5453 1 19 . 1 1 49 49 ILE N N 49 110.494 110.494 117.043 -6.549 19821 5454 1 19 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.857 1.357 19821 5455 1 19 . 1 1 49 49 ILE CA C 49 58.075 58.075 61.060 -2.985 19821 5456 1 19 . 1 1 49 49 ILE H H 49 6.766 6.766 7.780 -1.014 19821 5457 1 19 . 1 1 50 50 TYR N N 50 120.330 120.330 120.675 -0.345 19821 5458 1 19 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.737 0.147 19821 5459 1 19 . 1 1 50 50 TYR CA C 50 55.805 55.805 59.653 -3.848 19821 5460 1 19 . 1 1 50 50 TYR H H 50 9.025 9.025 8.634 0.391 19821 5461 1 19 . 1 1 51 51 ARG N N 51 120.608 120.608 113.222 7.386 19821 5462 1 19 . 1 1 51 51 ARG HA H 51 4.957 4.957 5.441 -0.484 19821 5463 1 19 . 1 1 51 51 ARG CA C 51 53.834 53.834 53.392 0.442 19821 5464 1 19 . 1 1 51 51 ARG H H 51 8.511 8.511 7.505 1.006 19821 5465 1 19 . 1 1 52 52 LYS N N 52 121.992 121.992 118.238 3.754 19821 5466 1 19 . 1 1 52 52 LYS HA H 52 4.371 4.371 5.012 -0.641 19821 5467 1 19 . 1 1 52 52 LYS CA C 52 55.626 55.626 53.898 1.728 19821 5468 1 19 . 1 1 52 52 LYS H H 52 8.324 8.324 8.925 -0.601 19821 5469 1 19 . 1 1 53 53 TRP N N 53 121.803 121.803 122.976 -1.173 19821 5470 1 19 . 1 1 53 53 TRP HA H 53 4.996 4.996 4.721 0.275 19821 5471 1 19 . 1 1 53 53 TRP CA C 53 56.462 56.462 56.268 0.194 19821 5472 1 19 . 1 1 53 53 TRP H H 53 8.457 8.457 8.522 -0.065 19821 5473 1 19 . 1 1 54 54 ARG N N 54 127.059 127.059 125.555 1.504 19821 5474 1 19 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.663 -0.201 19821 5475 1 19 . 1 1 54 54 ARG CA C 54 55.088 55.088 54.567 0.521 19821 5476 1 19 . 1 1 54 54 ARG H H 54 9.555 9.555 8.408 1.147 19821 5477 1 19 . 1 1 55 55 HIS N N 55 127.930 127.930 124.993 2.937 19821 5478 1 19 . 1 1 55 55 HIS HA H 55 5.089 5.089 4.944 0.145 19821 5479 1 19 . 1 1 55 55 HIS CA C 55 55.984 55.984 55.946 0.038 19821 5480 1 19 . 1 1 55 55 HIS H H 55 9.019 9.019 9.125 -0.106 19821 5481 1 19 . 1 1 56 56 PHE N N 56 125.912 125.912 125.043 0.869 19821 5482 1 19 . 1 1 56 56 PHE HA H 56 4.627 4.627 4.994 -0.367 19821 5483 1 19 . 1 1 56 56 PHE CA C 56 58.195 58.195 56.245 1.950 19821 5484 1 19 . 1 1 56 56 PHE H H 56 8.707 8.707 8.753 -0.046 19821 5485 1 19 . 1 1 57 57 SER N N 57 124.434 124.434 123.099 1.335 19821 5486 1 19 . 1 1 57 57 SER HA H 57 3.727 3.727 4.375 -0.648 19821 5487 1 19 . 1 1 57 57 SER CA C 57 58.433 58.433 59.922 -1.489 19821 5488 1 19 . 1 1 57 57 SER H H 57 8.829 8.829 8.879 -0.050 19821 5489 1 19 . 1 1 58 58 GLY N N 58 108.465 108.465 115.813 -7.348 19821 5490 1 19 . 1 1 58 58 GLY CA C 58 45.769 45.769 45.378 0.391 19821 5491 1 19 . 1 1 58 58 GLY H H 58 8.456 8.456 8.351 0.105 19821 5492 1 19 . 1 1 59 59 ARG N N 59 122.424 122.424 127.122 -4.698 19821 5493 1 19 . 1 1 59 59 ARG HA H 59 4.381 4.381 3.758 0.623 19821 5494 1 19 . 1 1 59 59 ARG CA C 59 54.849 54.849 56.396 -1.547 19821 5495 1 19 . 1 1 59 59 ARG H H 59 7.803 7.803 8.914 -1.111 19821 5496 1 19 . 1 1 60 60 LYS N N 60 121.613 121.613 116.951 4.662 19821 5497 1 19 . 1 1 60 60 LYS HA H 60 5.041 5.041 4.055 0.986 19821 5498 1 19 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.040 -0.918 19821 5499 1 19 . 1 1 60 60 LYS H H 60 7.912 7.912 7.984 -0.072 19821 5500 1 19 . 1 1 61 61 TYR N N 61 122.435 122.435 120.588 1.847 19821 5501 1 19 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.624 0.278 19821 5502 1 19 . 1 1 61 61 TYR CA C 61 56.522 56.522 55.636 0.886 19821 5503 1 19 . 1 1 61 61 TYR H H 61 8.883 8.883 7.696 1.187 19821 5504 1 19 . 1 1 62 62 ARG N N 62 127.580 127.580 124.612 2.968 19821 5505 1 19 . 1 1 62 62 ARG HA H 62 3.766 3.766 4.698 -0.932 19821 5506 1 19 . 1 1 62 62 ARG CA C 62 56.402 56.402 56.131 0.271 19821 5507 1 19 . 1 1 62 62 ARG H H 62 9.197 9.197 8.406 0.791 19821 5508 1 19 . 1 1 63 63 GLU N N 63 124.048 124.048 124.340 -0.292 19821 5509 1 19 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.606 -0.180 19821 5510 1 19 . 1 1 63 63 GLU CA C 63 53.834 53.834 54.839 -1.005 19821 5511 1 19 . 1 1 63 63 GLU H H 63 8.525 8.525 9.172 -0.647 19821 5512 1 19 . 1 1 64 64 TYR N N 64 121.860 121.860 123.049 -1.189 19821 5513 1 19 . 1 1 64 64 TYR HA H 64 4.536 4.536 4.251 0.285 19821 5514 1 19 . 1 1 64 64 TYR CA C 64 57.358 57.358 57.197 0.161 19821 5515 1 19 . 1 1 64 64 TYR H H 64 8.578 8.578 8.687 -0.109 19821 5516 1 19 . 1 1 65 65 CYS N N 65 119.180 119.180 117.002 2.178 19821 5517 1 19 . 1 1 65 65 CYS HA H 65 4.756 4.756 4.712 0.044 19821 5518 1 19 . 1 1 65 65 CYS CA C 65 53.177 53.177 56.607 -3.430 19821 5519 1 19 . 1 1 65 65 CYS H H 65 8.313 8.313 8.208 0.105 19821 5520 1 19 . 1 1 66 66 LEU N N 66 125.298 125.298 121.255 4.043 19821 5521 1 19 . 1 1 66 66 LEU HA H 66 4.151 4.151 4.555 -0.404 19821 5522 1 19 . 1 1 66 66 LEU CA C 66 55.805 55.805 54.304 1.501 19821 5523 1 19 . 1 1 66 66 LEU H H 66 8.917 8.917 8.412 0.505 19821 5524 1 19 . 1 1 67 67 LYS N N 67 126.834 126.834 122.779 4.055 19821 5525 1 19 . 1 1 67 67 LYS HA H 67 4.169 4.169 4.717 -0.548 19821 5526 1 19 . 1 1 67 67 LYS CA C 67 57.478 57.478 54.238 3.240 19821 5527 1 19 . 1 1 67 67 LYS H H 67 7.966 7.966 8.689 -0.723 19821 5528 1 19 . 1 1 68 68 HIS N N 68 122.718 122.718 122.726 -0.008 19821 5529 1 19 . 1 1 68 68 HIS HA H 68 4.583 4.583 4.528 0.055 19821 5530 1 19 . 1 1 68 68 HIS CA C 68 55.566 55.566 56.904 -1.338 19821 5531 1 19 . 1 1 68 68 HIS H H 68 8.648 8.648 8.479 0.169 19821 5532 1 19 . 1 1 69 69 ARG N N 69 125.371 125.371 126.154 -0.783 19821 5533 1 19 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.283 -0.190 19821 5534 1 19 . 1 1 69 69 ARG CA C 69 56.940 56.940 58.527 -1.587 19821 5535 1 19 . 1 1 69 69 ARG H H 69 8.334 8.334 8.491 -0.157 19821 5536 1 19 . 1 1 70 70 ASP N N 70 123.332 123.332 117.246 6.086 19821 5537 1 19 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.891 -0.464 19821 5538 1 19 . 1 1 70 70 ASP CA C 70 54.908 54.908 53.365 1.543 19821 5539 1 19 . 1 1 70 70 ASP H H 70 8.400 8.400 8.393 0.007 19821 5540 1 19 . 1 1 71 71 GLU N N 71 123.365 123.365 123.375 -0.010 19821 5541 1 19 . 1 1 71 71 GLU HA H 71 4.077 4.077 4.178 -0.101 19821 5542 1 19 . 1 1 71 71 GLU CA C 71 57.484 57.484 59.688 -2.204 19821 5543 1 19 . 1 1 71 71 GLU H H 71 8.300 8.300 9.033 -0.733 19821 5544 1 19 . 1 1 72 72 LEU N N 72 123.444 123.444 119.587 3.857 19821 5545 1 19 . 1 1 72 72 LEU HA H 72 4.114 4.114 4.082 0.032 19821 5546 1 19 . 1 1 72 72 LEU CA C 72 55.865 55.865 58.247 -2.382 19821 5547 1 19 . 1 1 72 72 LEU H H 72 8.038 8.038 8.558 -0.520 19821 5548 1 19 . 1 1 73 73 ALA N N 73 125.204 125.204 122.330 2.874 19821 5549 1 19 . 1 1 73 73 ALA HA H 73 4.041 4.041 4.050 -0.009 19821 5550 1 19 . 1 1 73 73 ALA CA C 73 53.475 53.475 54.572 -1.097 19821 5551 1 19 . 1 1 73 73 ALA H H 73 7.890 7.890 8.200 -0.310 19821 5552 1 19 . 1 1 74 74 ASP N N 74 120.369 120.369 120.096 0.273 19821 5553 1 19 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.346 0.061 19821 5554 1 19 . 1 1 74 74 ASP CA C 74 54.790 54.790 56.722 -1.932 19821 5555 1 19 . 1 1 74 74 ASP H H 74 7.980 7.980 7.800 0.180 19821 5556 1 19 . 1 1 75 75 LEU N N 75 123.629 123.629 119.939 3.690 19821 5557 1 19 . 1 1 75 75 LEU HA H 75 3.978 3.978 3.839 0.139 19821 5558 1 19 . 1 1 75 75 LEU CA C 75 56.343 56.343 57.737 -1.395 19821 5559 1 19 . 1 1 75 75 LEU H H 75 7.902 7.902 8.360 -0.458 19821 5560 1 19 . 1 1 76 76 GLU N N 76 120.501 120.501 118.367 2.134 19821 5561 1 19 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.062 -0.113 19821 5562 1 19 . 1 1 76 76 GLU CA C 76 57.239 57.239 58.851 -1.612 19821 5563 1 19 . 1 1 76 76 GLU H H 76 7.994 7.994 7.495 0.499 19821 5564 1 19 . 1 1 77 77 HIS N N 77 119.010 119.010 117.955 1.055 19821 5565 1 19 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.320 0.079 19821 5566 1 19 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.467 -2.423 19821 5567 1 19 . 1 1 77 77 HIS H H 77 7.959 7.959 7.667 0.292 19821 5568 1 20 . 1 1 4 4 LEU N N 4 125.414 125.414 122.718 2.696 19821 5569 1 20 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.182 0.170 19821 5570 1 20 . 1 1 4 4 LEU CA C 4 54.670 54.670 57.000 -2.330 19821 5571 1 20 . 1 1 4 4 LEU H H 4 7.844 7.844 8.408 -0.564 19821 5572 1 20 . 1 1 5 5 SER N N 5 120.078 120.078 109.732 10.346 19821 5573 1 20 . 1 1 5 5 SER HA H 5 4.279 4.279 4.266 0.013 19821 5574 1 20 . 1 1 5 5 SER CA C 5 57.119 57.119 60.036 -2.917 19821 5575 1 20 . 1 1 5 5 SER H H 5 8.615 8.615 8.093 0.522 19821 5576 1 20 . 1 1 6 6 LEU N N 6 124.468 124.468 116.661 7.807 19821 5577 1 20 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.410 -0.487 19821 5578 1 20 . 1 1 6 6 LEU CA C 6 58.493 58.493 54.590 3.903 19821 5579 1 20 . 1 1 6 6 LEU H H 6 8.719 8.719 7.403 1.316 19821 5580 1 20 . 1 1 7 7 THR N N 7 115.018 115.018 114.187 0.831 19821 5581 1 20 . 1 1 7 7 THR HA H 7 3.344 3.344 4.242 -0.898 19821 5582 1 20 . 1 1 7 7 THR CA C 7 68.469 68.469 61.644 6.825 19821 5583 1 20 . 1 1 7 7 THR H H 7 7.986 7.986 7.882 0.104 19821 5584 1 20 . 1 1 8 8 GLN N N 8 120.628 120.628 127.939 -7.311 19821 5585 1 20 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.079 -0.350 19821 5586 1 20 . 1 1 8 8 GLN CA C 8 59.628 59.628 58.815 0.813 19821 5587 1 20 . 1 1 8 8 GLN H H 8 7.398 7.398 8.924 -1.526 19821 5588 1 20 . 1 1 9 9 LEU N N 9 121.103 121.103 121.669 -0.566 19821 5589 1 20 . 1 1 9 9 LEU HA H 9 3.959 3.959 3.936 0.023 19821 5590 1 20 . 1 1 9 9 LEU CA C 9 58.553 58.553 59.564 -1.011 19821 5591 1 20 . 1 1 9 9 LEU H H 9 8.324 8.324 8.128 0.196 19821 5592 1 20 . 1 1 10 10 ILE N N 10 119.788 119.788 121.317 -1.529 19821 5593 1 20 . 1 1 10 10 ILE HA H 10 3.226 3.226 3.858 -0.632 19821 5594 1 20 . 1 1 10 10 ILE CA C 10 66.319 66.319 64.127 2.192 19821 5595 1 20 . 1 1 10 10 ILE H H 10 8.149 8.149 7.772 0.377 19821 5596 1 20 . 1 1 11 11 LEU N N 11 119.842 119.842 120.605 -0.763 19821 5597 1 20 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.165 -0.473 19821 5598 1 20 . 1 1 11 11 LEU CA C 11 58.911 58.911 58.148 0.763 19821 5599 1 20 . 1 1 11 11 LEU H H 11 7.847 7.847 8.149 -0.302 19821 5600 1 20 . 1 1 12 12 ILE N N 12 123.069 123.069 119.186 3.883 19821 5601 1 20 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.612 -0.093 19821 5602 1 20 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.638 -0.396 19821 5603 1 20 . 1 1 12 12 ILE H H 12 8.323 8.323 7.990 0.333 19821 5604 1 20 . 1 1 13 13 ARG N N 13 124.216 124.216 118.775 5.441 19821 5605 1 20 . 1 1 13 13 ARG HA H 13 3.619 3.619 3.999 -0.380 19821 5606 1 20 . 1 1 13 13 ARG CA C 13 57.717 57.717 58.902 -1.185 19821 5607 1 20 . 1 1 13 13 ARG H H 13 7.796 7.796 7.529 0.267 19821 5608 1 20 . 1 1 14 14 LEU N N 14 118.657 118.657 120.698 -2.041 19821 5609 1 20 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.748 0.623 19821 5610 1 20 . 1 1 14 14 LEU CA C 14 56.641 56.641 59.414 -2.773 19821 5611 1 20 . 1 1 14 14 LEU H H 14 8.450 8.450 8.475 -0.025 19821 5612 1 20 . 1 1 15 15 SER N N 15 116.873 116.873 115.126 1.747 19821 5613 1 20 . 1 1 15 15 SER HA H 15 3.949 3.949 3.872 0.077 19821 5614 1 20 . 1 1 15 15 SER CA C 15 61.540 61.540 61.534 0.006 19821 5615 1 20 . 1 1 15 15 SER H H 15 7.864 7.864 7.569 0.295 19821 5616 1 20 . 1 1 16 16 ASN N N 16 118.994 118.994 115.725 3.269 19821 5617 1 20 . 1 1 16 16 ASN HA H 16 4.491 4.491 4.501 -0.010 19821 5618 1 20 . 1 1 16 16 ASN CA C 16 55.626 55.626 55.523 0.103 19821 5619 1 20 . 1 1 16 16 ASN H H 16 7.804 7.804 8.133 -0.329 19821 5620 1 20 . 1 1 17 17 ARG N N 17 117.557 117.557 119.820 -2.263 19821 5621 1 20 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.060 0.237 19821 5622 1 20 . 1 1 17 17 ARG CA C 17 54.610 54.610 59.097 -4.487 19821 5623 1 20 . 1 1 17 17 ARG H H 17 8.343 8.343 8.093 0.250 19821 5624 1 20 . 1 1 18 18 GLY N N 18 110.623 110.623 108.746 1.877 19821 5625 1 20 . 1 1 18 18 GLY CA C 18 44.455 44.455 47.314 -2.859 19821 5626 1 20 . 1 1 18 18 GLY H H 18 7.303 7.303 7.671 -0.368 19821 5627 1 20 . 1 1 19 19 CYS N N 19 117.667 117.667 116.060 1.607 19821 5628 1 20 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.623 0.279 19821 5629 1 20 . 1 1 19 19 CYS CA C 19 58.254 58.254 59.216 -0.962 19821 5630 1 20 . 1 1 19 19 CYS H H 19 7.950 7.950 8.192 -0.242 19821 5631 1 20 . 1 1 20 20 GLN N N 20 121.882 121.882 119.988 1.894 19821 5632 1 20 . 1 1 20 20 GLN HA H 20 5.104 5.104 3.944 1.160 19821 5633 1 20 . 1 1 20 20 GLN CA C 20 53.714 53.714 56.451 -2.737 19821 5634 1 20 . 1 1 20 20 GLN H H 20 8.615 8.615 8.494 0.121 19821 5635 1 20 . 1 1 21 21 THR N N 21 116.183 116.183 117.331 -1.148 19821 5636 1 20 . 1 1 21 21 THR HA H 21 4.847 4.847 5.310 -0.463 19821 5637 1 20 . 1 1 21 21 THR CA C 21 60.763 60.763 60.756 0.007 19821 5638 1 20 . 1 1 21 21 THR H H 21 9.557 9.557 7.911 1.646 19821 5639 1 20 . 1 1 22 22 LEU N N 22 123.325 123.325 126.305 -2.980 19821 5640 1 20 . 1 1 22 22 LEU HA H 22 3.777 3.777 5.198 -1.421 19821 5641 1 20 . 1 1 22 22 LEU CA C 22 59.270 59.270 52.845 6.425 19821 5642 1 20 . 1 1 22 22 LEU H H 22 9.257 9.257 8.833 0.424 19821 5643 1 20 . 1 1 23 23 GLU N N 23 120.097 120.097 118.536 1.561 19821 5644 1 20 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.784 -0.861 19821 5645 1 20 . 1 1 23 23 GLU CA C 23 61.241 61.241 55.594 5.647 19821 5646 1 20 . 1 1 23 23 GLU H H 23 9.030 9.030 9.371 -0.341 19821 5647 1 20 . 1 1 24 24 GLU N N 24 122.438 122.438 122.733 -0.295 19821 5648 1 20 . 1 1 24 24 GLU HA H 24 3.912 3.912 4.104 -0.192 19821 5649 1 20 . 1 1 24 24 GLU CA C 24 59.270 59.270 60.226 -0.956 19821 5650 1 20 . 1 1 24 24 GLU H H 24 7.734 7.734 8.783 -1.049 19821 5651 1 20 . 1 1 25 25 LEU N N 25 123.263 123.263 120.070 3.193 19821 5652 1 20 . 1 1 25 25 LEU HA H 25 4.132 4.132 4.180 -0.048 19821 5653 1 20 . 1 1 25 25 LEU CA C 25 58.314 58.314 57.938 0.376 19821 5654 1 20 . 1 1 25 25 LEU H H 25 8.350 8.350 8.535 -0.185 19821 5655 1 20 . 1 1 26 26 GLU N N 26 129.504 129.504 119.611 9.893 19821 5656 1 20 . 1 1 26 26 GLU HA H 26 3.601 3.601 4.141 -0.540 19821 5657 1 20 . 1 1 26 26 GLU CA C 26 60.942 60.942 59.205 1.737 19821 5658 1 20 . 1 1 26 26 GLU H H 26 9.362 9.362 8.068 1.294 19821 5659 1 20 . 1 1 27 27 GLU N N 27 121.392 121.392 118.729 2.663 19821 5660 1 20 . 1 1 27 27 GLU HA H 27 3.857 3.857 4.077 -0.220 19821 5661 1 20 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.549 -0.160 19821 5662 1 20 . 1 1 27 27 GLU H H 27 7.741 7.741 8.688 -0.947 19821 5663 1 20 . 1 1 28 28 PHE N N 28 117.204 117.204 120.980 -3.776 19821 5664 1 20 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.139 0.158 19821 5665 1 20 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.335 -0.512 19821 5666 1 20 . 1 1 28 28 PHE H H 28 7.392 7.392 8.401 -1.009 19821 5667 1 20 . 1 1 29 29 THR N N 29 107.601 107.601 113.078 -5.477 19821 5668 1 20 . 1 1 29 29 THR HA H 29 3.472 3.472 4.091 -0.619 19821 5669 1 20 . 1 1 29 29 THR CA C 29 63.989 63.989 64.479 -0.490 19821 5670 1 20 . 1 1 29 29 THR H H 29 8.220 8.220 7.829 0.391 19821 5671 1 20 . 1 1 30 30 GLN N N 30 116.862 116.862 120.231 -3.369 19821 5672 1 20 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.139 -0.410 19821 5673 1 20 . 1 1 30 30 GLN CA C 30 57.478 57.478 58.394 -0.916 19821 5674 1 20 . 1 1 30 30 GLN H H 30 7.974 7.974 7.990 -0.016 19821 5675 1 20 . 1 1 31 31 ALA N N 31 122.778 122.778 116.946 5.832 19821 5676 1 20 . 1 1 31 31 ALA HA H 31 4.213 4.213 4.137 0.076 19821 5677 1 20 . 1 1 31 31 ALA CA C 31 51.265 51.265 52.548 -1.283 19821 5678 1 20 . 1 1 31 31 ALA H H 31 7.384 7.384 7.838 -0.454 19821 5679 1 20 . 1 1 32 32 LYS N N 32 121.107 121.107 118.639 2.468 19821 5680 1 20 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.906 0.153 19821 5681 1 20 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.581 -1.298 19821 5682 1 20 . 1 1 32 32 LYS H H 32 8.194 8.194 7.943 0.251 19821 5683 1 20 . 1 1 33 33 ARG N N 33 126.754 126.754 118.230 8.524 19821 5684 1 20 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.603 -0.334 19821 5685 1 20 . 1 1 33 33 ARG CA C 33 61.002 61.002 54.883 6.120 19821 5686 1 20 . 1 1 33 33 ARG H H 33 8.690 8.690 7.498 1.192 19821 5687 1 20 . 1 1 34 34 GLU N N 34 117.537 117.537 121.123 -3.586 19821 5688 1 20 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.320 -0.463 19821 5689 1 20 . 1 1 34 34 GLU CA C 34 60.619 60.619 56.389 4.230 19821 5690 1 20 . 1 1 34 34 GLU H H 34 9.236 9.236 8.497 0.739 19821 5691 1 20 . 1 1 35 35 VAL N N 35 121.054 121.054 123.793 -2.739 19821 5692 1 20 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.749 -0.075 19821 5693 1 20 . 1 1 35 35 VAL CA C 35 65.064 65.064 66.605 -1.541 19821 5694 1 20 . 1 1 35 35 VAL H H 35 6.681 6.681 8.887 -2.206 19821 5695 1 20 . 1 1 36 36 LEU N N 36 126.417 126.417 119.338 7.079 19821 5696 1 20 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.085 -0.466 19821 5697 1 20 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.531 1.261 19821 5698 1 20 . 1 1 36 36 LEU H H 36 8.140 8.140 8.772 -0.632 19821 5699 1 20 . 1 1 37 37 LEU N N 37 120.272 120.272 120.390 -0.118 19821 5700 1 20 . 1 1 37 37 LEU HA H 37 3.766 3.766 4.041 -0.275 19821 5701 1 20 . 1 1 37 37 LEU CA C 37 58.911 58.911 57.861 1.050 19821 5702 1 20 . 1 1 37 37 LEU H H 37 8.492 8.492 7.421 1.071 19821 5703 1 20 . 1 1 38 38 VAL N N 38 122.614 122.614 119.166 3.448 19821 5704 1 20 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.736 -0.135 19821 5705 1 20 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.499 1.417 19821 5706 1 20 . 1 1 38 38 VAL H H 38 7.508 7.508 8.054 -0.546 19821 5707 1 20 . 1 1 39 39 THR N N 39 120.141 120.141 112.221 7.920 19821 5708 1 20 . 1 1 39 39 THR HA H 39 3.678 3.678 3.946 -0.268 19821 5709 1 20 . 1 1 39 39 THR CA C 39 67.812 67.812 65.048 2.764 19821 5710 1 20 . 1 1 39 39 THR H H 39 7.626 7.626 8.234 -0.608 19821 5711 1 20 . 1 1 40 40 LEU N N 40 123.404 123.404 120.746 2.658 19821 5712 1 20 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.827 -0.198 19821 5713 1 20 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.404 -0.971 19821 5714 1 20 . 1 1 40 40 LEU H H 40 8.644 8.644 7.398 1.246 19821 5715 1 20 . 1 1 41 41 THR N N 41 119.278 119.278 116.550 2.728 19821 5716 1 20 . 1 1 41 41 THR HA H 41 3.839 3.839 4.034 -0.195 19821 5717 1 20 . 1 1 41 41 THR CA C 41 67.573 67.573 67.535 0.037 19821 5718 1 20 . 1 1 41 41 THR H H 41 8.169 8.169 7.501 0.668 19821 5719 1 20 . 1 1 42 42 ARG N N 42 124.625 124.625 120.621 4.004 19821 5720 1 20 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.821 0.183 19821 5721 1 20 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.381 0.486 19821 5722 1 20 . 1 1 42 42 ARG H H 42 7.748 7.748 8.569 -0.821 19821 5723 1 20 . 1 1 43 43 LEU N N 43 120.115 120.115 122.123 -2.008 19821 5724 1 20 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.149 -0.255 19821 5725 1 20 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.286 -2.151 19821 5726 1 20 . 1 1 43 43 LEU H H 43 7.963 7.963 8.301 -0.338 19821 5727 1 20 . 1 1 44 44 HIS N N 44 123.297 123.297 120.957 2.340 19821 5728 1 20 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.316 0.091 19821 5729 1 20 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.599 0.089 19821 5730 1 20 . 1 1 44 44 HIS H H 44 8.454 8.454 7.972 0.482 19821 5731 1 20 . 1 1 45 45 GLN N N 45 124.648 124.648 118.339 6.309 19821 5732 1 20 . 1 1 45 45 GLN HA H 45 3.821 3.821 3.929 -0.108 19821 5733 1 20 . 1 1 45 45 GLN CA C 45 59.270 59.270 59.003 0.267 19821 5734 1 20 . 1 1 45 45 GLN H H 45 8.626 8.626 8.586 0.040 19821 5735 1 20 . 1 1 46 46 ARG N N 46 117.047 117.047 120.668 -3.621 19821 5736 1 20 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.251 -0.082 19821 5737 1 20 . 1 1 46 46 ARG CA C 46 56.641 56.641 59.392 -2.751 19821 5738 1 20 . 1 1 46 46 ARG H H 46 7.628 7.628 8.184 -0.556 19821 5739 1 20 . 1 1 47 47 GLY N N 47 109.401 109.401 106.829 2.572 19821 5740 1 20 . 1 1 47 47 GLY CA C 47 46.128 46.128 47.319 -1.191 19821 5741 1 20 . 1 1 47 47 GLY H H 47 7.763 7.763 8.311 -0.548 19821 5742 1 20 . 1 1 48 48 VAL N N 48 118.932 118.932 116.931 2.001 19821 5743 1 20 . 1 1 48 48 VAL HA H 48 3.801 3.801 3.912 -0.111 19821 5744 1 20 . 1 1 48 48 VAL CA C 48 64.168 64.168 63.084 1.084 19821 5745 1 20 . 1 1 48 48 VAL H H 48 7.787 7.787 7.780 0.007 19821 5746 1 20 . 1 1 49 49 ILE N N 49 110.494 110.494 116.925 -6.431 19821 5747 1 20 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.487 1.727 19821 5748 1 20 . 1 1 49 49 ILE CA C 49 58.075 58.075 61.334 -3.259 19821 5749 1 20 . 1 1 49 49 ILE H H 49 6.766 6.766 7.524 -0.758 19821 5750 1 20 . 1 1 50 50 TYR N N 50 120.330 120.330 118.396 1.934 19821 5751 1 20 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.263 0.621 19821 5752 1 20 . 1 1 50 50 TYR CA C 50 55.805 55.805 59.872 -4.067 19821 5753 1 20 . 1 1 50 50 TYR H H 50 9.025 9.025 8.078 0.947 19821 5754 1 20 . 1 1 51 51 ARG N N 51 120.608 120.608 112.124 8.484 19821 5755 1 20 . 1 1 51 51 ARG HA H 51 4.957 4.957 5.195 -0.238 19821 5756 1 20 . 1 1 51 51 ARG CA C 51 53.834 53.834 53.502 0.332 19821 5757 1 20 . 1 1 51 51 ARG H H 51 8.511 8.511 7.122 1.389 19821 5758 1 20 . 1 1 52 52 LYS N N 52 121.992 121.992 119.051 2.941 19821 5759 1 20 . 1 1 52 52 LYS HA H 52 4.371 4.371 5.040 -0.669 19821 5760 1 20 . 1 1 52 52 LYS CA C 52 55.626 55.626 54.685 0.941 19821 5761 1 20 . 1 1 52 52 LYS H H 52 8.324 8.324 9.014 -0.690 19821 5762 1 20 . 1 1 53 53 TRP N N 53 121.803 121.803 125.048 -3.245 19821 5763 1 20 . 1 1 53 53 TRP HA H 53 4.996 4.996 4.926 0.070 19821 5764 1 20 . 1 1 53 53 TRP CA C 53 56.462 56.462 56.092 0.370 19821 5765 1 20 . 1 1 53 53 TRP H H 53 8.457 8.457 8.714 -0.257 19821 5766 1 20 . 1 1 54 54 ARG N N 54 127.059 127.059 126.684 0.375 19821 5767 1 20 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.503 -0.041 19821 5768 1 20 . 1 1 54 54 ARG CA C 54 55.088 55.088 54.458 0.630 19821 5769 1 20 . 1 1 54 54 ARG H H 54 9.555 9.555 8.372 1.183 19821 5770 1 20 . 1 1 55 55 HIS N N 55 127.930 127.930 124.737 3.193 19821 5771 1 20 . 1 1 55 55 HIS HA H 55 5.089 5.089 4.780 0.309 19821 5772 1 20 . 1 1 55 55 HIS CA C 55 55.984 55.984 55.225 0.759 19821 5773 1 20 . 1 1 55 55 HIS H H 55 9.019 9.019 9.000 0.019 19821 5774 1 20 . 1 1 56 56 PHE N N 56 125.912 125.912 122.372 3.540 19821 5775 1 20 . 1 1 56 56 PHE HA H 56 4.627 4.627 4.924 -0.297 19821 5776 1 20 . 1 1 56 56 PHE CA C 56 58.195 58.195 56.692 1.503 19821 5777 1 20 . 1 1 56 56 PHE H H 56 8.707 8.707 8.294 0.413 19821 5778 1 20 . 1 1 57 57 SER N N 57 124.434 124.434 117.069 7.365 19821 5779 1 20 . 1 1 57 57 SER HA H 57 3.727 3.727 5.829 -2.102 19821 5780 1 20 . 1 1 57 57 SER CA C 57 58.433 58.433 57.287 1.146 19821 5781 1 20 . 1 1 57 57 SER H H 57 8.829 8.829 8.634 0.195 19821 5782 1 20 . 1 1 58 58 GLY N N 58 108.465 108.465 114.022 -5.557 19821 5783 1 20 . 1 1 58 58 GLY CA C 58 45.769 45.769 45.183 0.586 19821 5784 1 20 . 1 1 58 58 GLY H H 58 8.456 8.456 9.036 -0.580 19821 5785 1 20 . 1 1 59 59 ARG N N 59 122.424 122.424 126.862 -4.438 19821 5786 1 20 . 1 1 59 59 ARG HA H 59 4.381 4.381 3.725 0.656 19821 5787 1 20 . 1 1 59 59 ARG CA C 59 54.849 54.849 56.996 -2.147 19821 5788 1 20 . 1 1 59 59 ARG H H 59 7.803 7.803 8.858 -1.055 19821 5789 1 20 . 1 1 60 60 LYS N N 60 121.613 121.613 116.469 5.144 19821 5790 1 20 . 1 1 60 60 LYS HA H 60 5.041 5.041 3.965 1.076 19821 5791 1 20 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.387 -1.265 19821 5792 1 20 . 1 1 60 60 LYS H H 60 7.912 7.912 8.354 -0.442 19821 5793 1 20 . 1 1 61 61 TYR N N 61 122.435 122.435 120.987 1.448 19821 5794 1 20 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.685 0.217 19821 5795 1 20 . 1 1 61 61 TYR CA C 61 56.522 56.522 56.944 -0.423 19821 5796 1 20 . 1 1 61 61 TYR H H 61 8.883 8.883 7.949 0.934 19821 5797 1 20 . 1 1 62 62 ARG N N 62 127.580 127.580 122.502 5.078 19821 5798 1 20 . 1 1 62 62 ARG HA H 62 3.766 3.766 4.952 -1.186 19821 5799 1 20 . 1 1 62 62 ARG CA C 62 56.402 56.402 55.678 0.724 19821 5800 1 20 . 1 1 62 62 ARG H H 62 9.197 9.197 8.445 0.752 19821 5801 1 20 . 1 1 63 63 GLU N N 63 124.048 124.048 124.469 -0.421 19821 5802 1 20 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.464 -0.038 19821 5803 1 20 . 1 1 63 63 GLU CA C 63 53.834 53.834 54.949 -1.115 19821 5804 1 20 . 1 1 63 63 GLU H H 63 8.525 8.525 9.287 -0.762 19821 5805 1 20 . 1 1 64 64 TYR N N 64 121.860 121.860 125.579 -3.719 19821 5806 1 20 . 1 1 64 64 TYR HA H 64 4.536 4.536 4.674 -0.138 19821 5807 1 20 . 1 1 64 64 TYR CA C 64 57.358 57.358 57.722 -0.364 19821 5808 1 20 . 1 1 64 64 TYR H H 64 8.578 8.578 9.016 -0.438 19821 5809 1 20 . 1 1 65 65 CYS N N 65 119.180 119.180 122.538 -3.358 19821 5810 1 20 . 1 1 65 65 CYS HA H 65 4.756 4.756 5.096 -0.340 19821 5811 1 20 . 1 1 65 65 CYS CA C 65 53.177 53.177 57.398 -4.221 19821 5812 1 20 . 1 1 65 65 CYS H H 65 8.313 8.313 8.143 0.170 19821 5813 1 20 . 1 1 66 66 LEU N N 66 125.298 125.298 121.293 4.005 19821 5814 1 20 . 1 1 66 66 LEU HA H 66 4.151 4.151 5.179 -1.028 19821 5815 1 20 . 1 1 66 66 LEU CA C 66 55.805 55.805 53.307 2.498 19821 5816 1 20 . 1 1 66 66 LEU H H 66 8.917 8.917 9.245 -0.328 19821 5817 1 20 . 1 1 67 67 LYS N N 67 126.834 126.834 123.062 3.772 19821 5818 1 20 . 1 1 67 67 LYS HA H 67 4.169 4.169 5.293 -1.124 19821 5819 1 20 . 1 1 67 67 LYS CA C 67 57.478 57.478 53.565 3.913 19821 5820 1 20 . 1 1 67 67 LYS H H 67 7.966 7.966 9.181 -1.215 19821 5821 1 20 . 1 1 68 68 HIS N N 68 122.718 122.718 126.745 -4.027 19821 5822 1 20 . 1 1 68 68 HIS HA H 68 4.583 4.583 5.075 -0.492 19821 5823 1 20 . 1 1 68 68 HIS CA C 68 55.566 55.566 55.583 -0.017 19821 5824 1 20 . 1 1 68 68 HIS H H 68 8.648 8.648 8.557 0.091 19821 5825 1 20 . 1 1 69 69 ARG N N 69 125.371 125.371 125.523 -0.152 19821 5826 1 20 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.577 -0.484 19821 5827 1 20 . 1 1 69 69 ARG CA C 69 56.940 56.940 55.981 0.959 19821 5828 1 20 . 1 1 69 69 ARG H H 69 8.334 8.334 8.085 0.249 19821 5829 1 20 . 1 1 70 70 ASP N N 70 123.332 123.332 123.191 0.141 19821 5830 1 20 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.546 -0.119 19821 5831 1 20 . 1 1 70 70 ASP CA C 70 54.908 54.908 55.228 -0.320 19821 5832 1 20 . 1 1 70 70 ASP H H 70 8.400 8.400 7.788 0.612 19821 5833 1 20 . 1 1 71 71 GLU N N 71 123.365 123.365 126.885 -3.520 19821 5834 1 20 . 1 1 71 71 GLU HA H 71 4.077 4.077 4.071 0.006 19821 5835 1 20 . 1 1 71 71 GLU CA C 71 57.484 57.484 57.063 0.421 19821 5836 1 20 . 1 1 71 71 GLU H H 71 8.300 8.300 8.075 0.225 19821 5837 1 20 . 1 1 72 72 LEU N N 72 123.444 123.444 128.257 -4.813 19821 5838 1 20 . 1 1 72 72 LEU HA H 72 4.114 4.114 4.010 0.104 19821 5839 1 20 . 1 1 72 72 LEU CA C 72 55.865 55.865 58.669 -2.804 19821 5840 1 20 . 1 1 72 72 LEU H H 72 8.038 8.038 8.707 -0.669 19821 5841 1 20 . 1 1 73 73 ALA N N 73 125.204 125.204 122.924 2.280 19821 5842 1 20 . 1 1 73 73 ALA HA H 73 4.041 4.041 4.009 0.032 19821 5843 1 20 . 1 1 73 73 ALA CA C 73 53.475 53.475 55.156 -1.681 19821 5844 1 20 . 1 1 73 73 ALA H H 73 7.890 7.890 8.351 -0.461 19821 5845 1 20 . 1 1 74 74 ASP N N 74 120.369 120.369 117.950 2.419 19821 5846 1 20 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.351 0.056 19821 5847 1 20 . 1 1 74 74 ASP CA C 74 54.790 54.790 56.187 -1.397 19821 5848 1 20 . 1 1 74 74 ASP H H 74 7.980 7.980 8.010 -0.030 19821 5849 1 20 . 1 1 75 75 LEU N N 75 123.629 123.629 120.762 2.867 19821 5850 1 20 . 1 1 75 75 LEU HA H 75 3.978 3.978 4.165 -0.187 19821 5851 1 20 . 1 1 75 75 LEU CA C 75 56.343 56.343 57.993 -1.650 19821 5852 1 20 . 1 1 75 75 LEU H H 75 7.902 7.902 8.184 -0.282 19821 5853 1 20 . 1 1 76 76 GLU N N 76 120.501 120.501 118.849 1.652 19821 5854 1 20 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.317 -0.368 19821 5855 1 20 . 1 1 76 76 GLU CA C 76 57.239 57.239 59.272 -2.033 19821 5856 1 20 . 1 1 76 76 GLU H H 76 7.994 7.994 7.965 0.029 19821 5857 1 20 . 1 1 77 77 HIS N N 77 119.010 119.010 118.133 0.877 19821 5858 1 20 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.365 0.034 19821 5859 1 20 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.486 -2.442 19821 5860 1 20 . 1 1 77 77 HIS H H 77 7.959 7.959 7.860 0.099 19821 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 74 3.894 -1.360 3.673 19821 2 1 1 "Average Difference" HA 77 0.514 0.147 0.496 19821 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19821 4 1 1 "Average Difference" CA 74 2.398 -0.012 2.415 19821 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19821 6 1 1 "Average Difference" HN 74 0.727 0.050 0.730 19821 7 1 2 "Average Difference" N 74 4.268 -1.220 4.118 19821 8 1 2 "Average Difference" HA 77 0.465 0.141 0.446 19821 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19821 10 1 2 "Average Difference" CA 74 2.380 -0.046 2.396 19821 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19821 12 1 2 "Average Difference" HN 74 0.715 0.026 0.719 19821 13 1 3 "Average Difference" N 74 3.891 -1.651 3.548 19821 14 1 3 "Average Difference" HA 77 0.490 0.118 0.479 19821 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19821 16 1 3 "Average Difference" CA 74 2.399 0.009 2.415 19821 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19821 18 1 3 "Average Difference" HN 74 0.721 0.041 0.725 19821 19 1 4 "Average Difference" N 74 4.190 -1.511 3.935 19821 20 1 4 "Average Difference" HA 77 0.475 0.154 0.452 19821 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19821 22 1 4 "Average Difference" CA 74 2.380 -0.118 2.394 19821 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19821 24 1 4 "Average Difference" HN 74 0.737 0.075 0.739 19821 25 1 5 "Average Difference" N 74 4.049 -1.255 3.876 19821 26 1 5 "Average Difference" HA 77 0.537 0.155 0.518 19821 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19821 28 1 5 "Average Difference" CA 74 2.304 0.006 2.320 19821 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19821 30 1 5 "Average Difference" HN 74 0.688 0.063 0.690 19821 31 1 6 "Average Difference" N 74 4.011 -1.250 3.838 19821 32 1 6 "Average Difference" HA 77 0.481 0.145 0.462 19821 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19821 34 1 6 "Average Difference" CA 74 2.394 -0.051 2.409 19821 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19821 36 1 6 "Average Difference" HN 74 0.788 0.082 0.789 19821 37 1 7 "Average Difference" N 74 4.024 -1.507 3.757 19821 38 1 7 "Average Difference" HA 77 0.523 0.153 0.503 19821 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19821 40 1 7 "Average Difference" CA 74 2.298 -0.102 2.311 19821 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19821 42 1 7 "Average Difference" HN 74 0.720 0.031 0.725 19821 43 1 8 "Average Difference" N 74 4.195 -1.444 3.965 19821 44 1 8 "Average Difference" HA 77 0.510 0.121 0.499 19821 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19821 46 1 8 "Average Difference" CA 74 2.345 0.052 2.360 19821 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19821 48 1 8 "Average Difference" HN 74 0.708 0.038 0.712 19821 49 1 9 "Average Difference" N 74 4.216 -1.316 4.032 19821 50 1 9 "Average Difference" HA 77 0.490 0.100 0.483 19821 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19821 52 1 9 "Average Difference" CA 74 2.316 -0.049 2.331 19821 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19821 54 1 9 "Average Difference" HN 74 0.733 0.028 0.737 19821 55 1 10 "Average Difference" N 74 4.055 -1.426 3.822 19821 56 1 10 "Average Difference" HA 77 0.533 0.141 0.517 19821 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19821 58 1 10 "Average Difference" CA 74 2.406 -0.083 2.421 19821 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19821 60 1 10 "Average Difference" HN 74 0.705 0.037 0.709 19821 61 1 11 "Average Difference" N 74 4.202 -1.086 4.086 19821 62 1 11 "Average Difference" HA 77 0.450 0.125 0.435 19821 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19821 64 1 11 "Average Difference" CA 74 2.342 -0.068 2.357 19821 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19821 66 1 11 "Average Difference" HN 74 0.689 -0.015 0.694 19821 67 1 12 "Average Difference" N 74 4.178 -1.302 3.997 19821 68 1 12 "Average Difference" HA 77 0.512 0.139 0.496 19821 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19821 70 1 12 "Average Difference" CA 74 2.348 0.042 2.363 19821 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 19821 72 1 12 "Average Difference" HN 74 0.736 0.065 0.738 19821 73 1 13 "Average Difference" N 74 3.750 -1.464 3.475 19821 74 1 13 "Average Difference" HA 77 0.494 0.153 0.473 19821 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19821 76 1 13 "Average Difference" CA 74 2.414 -0.083 2.429 19821 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 19821 78 1 13 "Average Difference" HN 74 0.741 0.040 0.745 19821 79 1 14 "Average Difference" N 74 4.128 -1.519 3.864 19821 80 1 14 "Average Difference" HA 77 0.489 0.157 0.466 19821 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19821 82 1 14 "Average Difference" CA 74 2.449 0.002 2.466 19821 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 19821 84 1 14 "Average Difference" HN 74 0.708 0.016 0.713 19821 85 1 15 "Average Difference" N 74 4.194 -1.140 4.064 19821 86 1 15 "Average Difference" HA 77 0.482 0.140 0.464 19821 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19821 88 1 15 "Average Difference" CA 74 2.361 0.028 2.377 19821 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 19821 90 1 15 "Average Difference" HN 74 0.745 0.036 0.750 19821 91 1 16 "Average Difference" N 74 4.062 -1.536 3.786 19821 92 1 16 "Average Difference" HA 77 0.511 0.096 0.505 19821 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19821 94 1 16 "Average Difference" CA 74 2.432 -0.017 2.449 19821 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 19821 96 1 16 "Average Difference" HN 74 0.698 0.029 0.703 19821 97 1 17 "Average Difference" N 74 4.254 -1.616 3.962 19821 98 1 17 "Average Difference" HA 77 0.507 0.122 0.495 19821 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19821 100 1 17 "Average Difference" CA 74 2.382 -0.042 2.398 19821 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 19821 102 1 17 "Average Difference" HN 74 0.745 0.054 0.748 19821 103 1 18 "Average Difference" N 74 3.968 -1.462 3.714 19821 104 1 18 "Average Difference" HA 77 0.476 0.131 0.461 19821 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19821 106 1 18 "Average Difference" CA 74 2.421 -0.016 2.437 19821 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 19821 108 1 18 "Average Difference" HN 74 0.706 0.005 0.711 19821 109 1 19 "Average Difference" N 74 3.746 -1.368 3.511 19821 110 1 19 "Average Difference" HA 77 0.436 0.111 0.424 19821 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19821 112 1 19 "Average Difference" CA 74 2.402 0.040 2.418 19821 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 19821 114 1 19 "Average Difference" HN 74 0.703 0.032 0.707 19821 115 1 20 "Average Difference" N 74 4.197 -1.227 4.041 19821 116 1 20 "Average Difference" HA 77 0.562 0.160 0.542 19821 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19821 118 1 20 "Average Difference" CA 74 2.338 0.036 2.353 19821 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 19821 120 1 20 "Average Difference" HN 74 0.723 0.014 0.728 19821 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 19821 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 4 4 LEU N N 4 125.414 125.414 122.016 3.398 19821 2 1 . 1 1 4 4 LEU HA H 4 4.352 4.352 4.168 0.184 19821 3 1 . 1 1 4 4 LEU CA C 4 54.670 54.670 56.868 -2.198 19821 4 1 . 1 1 4 4 LEU H H 4 7.844 7.844 8.224 -0.380 19821 5 1 . 1 1 5 5 SER N N 5 120.078 120.078 111.924 8.154 19821 6 1 . 1 1 5 5 SER HA H 5 4.279 4.279 4.278 0.001 19821 7 1 . 1 1 5 5 SER CA C 5 57.119 57.119 58.852 -1.733 19821 8 1 . 1 1 5 5 SER H H 5 8.615 8.615 8.038 0.577 19821 9 1 . 1 1 6 6 LEU N N 6 124.468 124.468 119.163 5.305 19821 10 1 . 1 1 6 6 LEU HA H 6 3.923 3.923 4.475 -0.552 19821 11 1 . 1 1 6 6 LEU CA C 6 58.493 58.493 54.187 4.306 19821 12 1 . 1 1 6 6 LEU H H 6 8.719 8.719 7.404 1.315 19821 13 1 . 1 1 7 7 THR N N 7 115.018 115.018 114.474 0.544 19821 14 1 . 1 1 7 7 THR HA H 7 3.344 3.344 4.333 -0.989 19821 15 1 . 1 1 7 7 THR CA C 7 68.469 68.469 61.437 7.032 19821 16 1 . 1 1 7 7 THR H H 7 7.986 7.986 8.650 -0.664 19821 17 1 . 1 1 8 8 GLN N N 8 120.628 120.628 122.088 -1.460 19821 18 1 . 1 1 8 8 GLN HA H 8 3.729 3.729 4.145 -0.416 19821 19 1 . 1 1 8 8 GLN CA C 8 59.628 59.628 59.156 0.472 19821 20 1 . 1 1 8 8 GLN H H 8 7.398 7.398 8.873 -1.475 19821 21 1 . 1 1 9 9 LEU N N 9 121.103 121.103 120.309 0.794 19821 22 1 . 1 1 9 9 LEU HA H 9 3.959 3.959 3.988 -0.029 19821 23 1 . 1 1 9 9 LEU CA C 9 58.553 58.553 59.312 -0.759 19821 24 1 . 1 1 9 9 LEU H H 9 8.324 8.324 7.993 0.331 19821 25 1 . 1 1 10 10 ILE N N 10 119.788 119.788 122.050 -2.262 19821 26 1 . 1 1 10 10 ILE HA H 10 3.226 3.226 3.906 -0.680 19821 27 1 . 1 1 10 10 ILE CA C 10 66.319 66.319 64.522 1.798 19821 28 1 . 1 1 10 10 ILE H H 10 8.149 8.149 7.834 0.315 19821 29 1 . 1 1 11 11 LEU N N 11 119.842 119.842 120.823 -0.981 19821 30 1 . 1 1 11 11 LEU HA H 11 3.692 3.692 4.160 -0.468 19821 31 1 . 1 1 11 11 LEU CA C 11 58.911 58.911 58.078 0.833 19821 32 1 . 1 1 11 11 LEU H H 11 7.847 7.847 8.326 -0.479 19821 33 1 . 1 1 12 12 ILE N N 12 123.069 123.069 119.355 3.714 19821 34 1 . 1 1 12 12 ILE HA H 12 3.519 3.519 3.588 -0.069 19821 35 1 . 1 1 12 12 ILE CA C 12 65.243 65.243 65.582 -0.339 19821 36 1 . 1 1 12 12 ILE H H 12 8.323 8.323 7.871 0.452 19821 37 1 . 1 1 13 13 ARG N N 13 124.216 124.216 119.284 4.932 19821 38 1 . 1 1 13 13 ARG HA H 13 3.619 3.619 3.939 -0.320 19821 39 1 . 1 1 13 13 ARG CA C 13 57.717 57.717 59.209 -1.492 19821 40 1 . 1 1 13 13 ARG H H 13 7.796 7.796 7.783 0.013 19821 41 1 . 1 1 14 14 LEU N N 14 118.657 118.657 119.836 -1.179 19821 42 1 . 1 1 14 14 LEU HA H 14 4.371 4.371 3.841 0.530 19821 43 1 . 1 1 14 14 LEU CA C 14 56.641 56.641 58.614 -1.973 19821 44 1 . 1 1 14 14 LEU H H 14 8.450 8.450 8.277 0.173 19821 45 1 . 1 1 15 15 SER N N 15 116.873 116.873 115.164 1.709 19821 46 1 . 1 1 15 15 SER HA H 15 3.949 3.949 3.902 0.047 19821 47 1 . 1 1 15 15 SER CA C 15 61.540 61.540 60.362 1.178 19821 48 1 . 1 1 15 15 SER H H 15 7.864 7.864 7.778 0.086 19821 49 1 . 1 1 16 16 ASN N N 16 118.994 118.994 116.086 2.908 19821 50 1 . 1 1 16 16 ASN HA H 16 4.491 4.491 4.682 -0.191 19821 51 1 . 1 1 16 16 ASN CA C 16 55.626 55.626 55.115 0.511 19821 52 1 . 1 1 16 16 ASN H H 16 7.804 7.804 8.312 -0.508 19821 53 1 . 1 1 17 17 ARG N N 17 117.557 117.557 119.099 -1.542 19821 54 1 . 1 1 17 17 ARG HA H 17 4.297 4.297 4.100 0.197 19821 55 1 . 1 1 17 17 ARG CA C 17 54.610 54.610 58.713 -4.103 19821 56 1 . 1 1 17 17 ARG H H 17 8.343 8.343 8.017 0.326 19821 57 1 . 1 1 18 18 GLY N N 18 110.623 110.623 108.551 2.072 19821 58 1 . 1 1 18 18 GLY CA C 18 44.455 44.455 46.933 -2.478 19821 59 1 . 1 1 18 18 GLY H H 18 7.303 7.303 7.682 -0.379 19821 60 1 . 1 1 19 19 CYS N N 19 117.667 117.667 116.696 0.971 19821 61 1 . 1 1 19 19 CYS HA H 19 4.902 4.902 4.670 0.232 19821 62 1 . 1 1 19 19 CYS CA C 19 58.254 58.254 57.878 0.376 19821 63 1 . 1 1 19 19 CYS H H 19 7.950 7.950 7.858 0.092 19821 64 1 . 1 1 20 20 GLN N N 20 121.882 121.882 120.774 1.108 19821 65 1 . 1 1 20 20 GLN HA H 20 5.104 5.104 4.055 1.049 19821 66 1 . 1 1 20 20 GLN CA C 20 53.714 53.714 56.937 -3.223 19821 67 1 . 1 1 20 20 GLN H H 20 8.615 8.615 8.630 -0.015 19821 68 1 . 1 1 21 21 THR N N 21 116.183 116.183 114.812 1.371 19821 69 1 . 1 1 21 21 THR HA H 21 4.847 4.847 5.155 -0.308 19821 70 1 . 1 1 21 21 THR CA C 21 60.763 60.763 60.538 0.225 19821 71 1 . 1 1 21 21 THR H H 21 9.557 9.557 7.755 1.802 19821 72 1 . 1 1 22 22 LEU N N 22 123.325 123.325 126.067 -2.742 19821 73 1 . 1 1 22 22 LEU HA H 22 3.777 3.777 5.081 -1.304 19821 74 1 . 1 1 22 22 LEU CA C 22 59.270 59.270 52.733 6.537 19821 75 1 . 1 1 22 22 LEU H H 22 9.257 9.257 8.918 0.339 19821 76 1 . 1 1 23 23 GLU N N 23 120.097 120.097 118.667 1.430 19821 77 1 . 1 1 23 23 GLU HA H 23 3.923 3.923 4.620 -0.697 19821 78 1 . 1 1 23 23 GLU CA C 23 61.241 61.241 55.334 5.907 19821 79 1 . 1 1 23 23 GLU H H 23 9.030 9.030 9.310 -0.280 19821 80 1 . 1 1 24 24 GLU N N 24 122.438 122.438 122.643 -0.205 19821 81 1 . 1 1 24 24 GLU HA H 24 3.912 3.912 4.034 -0.122 19821 82 1 . 1 1 24 24 GLU CA C 24 59.270 59.270 60.204 -0.934 19821 83 1 . 1 1 24 24 GLU H H 24 7.734 7.734 9.046 -1.311 19821 84 1 . 1 1 25 25 LEU N N 25 123.263 123.263 119.341 3.922 19821 85 1 . 1 1 25 25 LEU HA H 25 4.132 4.132 4.073 0.059 19821 86 1 . 1 1 25 25 LEU CA C 25 58.314 58.314 57.998 0.316 19821 87 1 . 1 1 25 25 LEU H H 25 8.350 8.350 8.398 -0.048 19821 88 1 . 1 1 26 26 GLU N N 26 129.504 129.504 120.147 9.357 19821 89 1 . 1 1 26 26 GLU HA H 26 3.601 3.601 4.081 -0.480 19821 90 1 . 1 1 26 26 GLU CA C 26 60.942 60.942 59.122 1.820 19821 91 1 . 1 1 26 26 GLU H H 26 9.362 9.362 7.884 1.478 19821 92 1 . 1 1 27 27 GLU N N 27 121.392 121.392 118.541 2.851 19821 93 1 . 1 1 27 27 GLU HA H 27 3.857 3.857 4.050 -0.193 19821 94 1 . 1 1 27 27 GLU CA C 27 59.389 59.389 59.455 -0.066 19821 95 1 . 1 1 27 27 GLU H H 27 7.741 7.741 8.510 -0.769 19821 96 1 . 1 1 28 28 PHE N N 28 117.204 117.204 120.794 -3.590 19821 97 1 . 1 1 28 28 PHE HA H 28 4.297 4.297 4.164 0.133 19821 98 1 . 1 1 28 28 PHE CA C 28 60.823 60.823 61.255 -0.432 19821 99 1 . 1 1 28 28 PHE H H 28 7.392 7.392 8.312 -0.920 19821 100 1 . 1 1 29 29 THR N N 29 107.601 107.601 112.972 -5.371 19821 101 1 . 1 1 29 29 THR HA H 29 3.472 3.472 4.075 -0.603 19821 102 1 . 1 1 29 29 THR CA C 29 63.989 63.989 64.434 -0.445 19821 103 1 . 1 1 29 29 THR H H 29 8.220 8.220 7.800 0.420 19821 104 1 . 1 1 30 30 GLN N N 30 116.862 116.862 118.798 -1.936 19821 105 1 . 1 1 30 30 GLN HA H 30 3.729 3.729 4.149 -0.420 19821 106 1 . 1 1 30 30 GLN CA C 30 57.478 57.478 58.451 -0.973 19821 107 1 . 1 1 30 30 GLN H H 30 7.974 7.974 7.947 0.027 19821 108 1 . 1 1 31 31 ALA N N 31 122.778 122.778 118.068 4.710 19821 109 1 . 1 1 31 31 ALA HA H 31 4.213 4.213 4.035 0.178 19821 110 1 . 1 1 31 31 ALA CA C 31 51.265 51.265 53.426 -2.160 19821 111 1 . 1 1 31 31 ALA H H 31 7.384 7.384 7.977 -0.593 19821 112 1 . 1 1 32 32 LYS N N 32 121.107 121.107 117.354 3.753 19821 113 1 . 1 1 32 32 LYS HA H 32 4.059 4.059 3.923 0.136 19821 114 1 . 1 1 32 32 LYS CA C 32 56.283 56.283 57.457 -1.174 19821 115 1 . 1 1 32 32 LYS H H 32 8.194 8.194 7.929 0.265 19821 116 1 . 1 1 33 33 ARG N N 33 126.754 126.754 118.500 8.254 19821 117 1 . 1 1 33 33 ARG HA H 33 4.269 4.269 4.554 -0.285 19821 118 1 . 1 1 33 33 ARG CA C 33 61.002 61.002 54.997 6.005 19821 119 1 . 1 1 33 33 ARG H H 33 8.690 8.690 7.638 1.052 19821 120 1 . 1 1 34 34 GLU N N 34 117.537 117.537 121.015 -3.478 19821 121 1 . 1 1 34 34 GLU HA H 34 3.857 3.857 4.216 -0.359 19821 122 1 . 1 1 34 34 GLU CA C 34 60.619 60.619 56.767 3.852 19821 123 1 . 1 1 34 34 GLU H H 34 9.236 9.236 8.578 0.658 19821 124 1 . 1 1 35 35 VAL N N 35 121.054 121.054 125.742 -4.688 19821 125 1 . 1 1 35 35 VAL HA H 35 3.674 3.674 3.679 -0.005 19821 126 1 . 1 1 35 35 VAL CA C 35 65.064 65.064 66.528 -1.464 19821 127 1 . 1 1 35 35 VAL H H 35 6.681 6.681 8.889 -2.208 19821 128 1 . 1 1 36 36 LEU N N 36 126.417 126.417 120.493 5.924 19821 129 1 . 1 1 36 36 LEU HA H 36 3.619 3.619 4.100 -0.481 19821 130 1 . 1 1 36 36 LEU CA C 36 58.792 58.792 57.855 0.937 19821 131 1 . 1 1 36 36 LEU H H 36 8.140 8.140 8.532 -0.392 19821 132 1 . 1 1 37 37 LEU N N 37 120.272 120.272 119.883 0.389 19821 133 1 . 1 1 37 37 LEU HA H 37 3.766 3.766 3.973 -0.207 19821 134 1 . 1 1 37 37 LEU CA C 37 58.911 58.911 57.907 1.004 19821 135 1 . 1 1 37 37 LEU H H 37 8.492 8.492 7.816 0.676 19821 136 1 . 1 1 38 38 VAL N N 38 122.614 122.614 119.698 2.916 19821 137 1 . 1 1 38 38 VAL HA H 38 3.601 3.601 3.764 -0.163 19821 138 1 . 1 1 38 38 VAL CA C 38 66.916 66.916 65.403 1.513 19821 139 1 . 1 1 38 38 VAL H H 38 7.508 7.508 8.070 -0.562 19821 140 1 . 1 1 39 39 THR N N 39 120.141 120.141 112.626 7.515 19821 141 1 . 1 1 39 39 THR HA H 39 3.678 3.678 3.875 -0.197 19821 142 1 . 1 1 39 39 THR CA C 39 67.812 67.812 65.213 2.599 19821 143 1 . 1 1 39 39 THR H H 39 7.626 7.626 8.046 -0.420 19821 144 1 . 1 1 40 40 LEU N N 40 123.404 123.404 120.764 2.640 19821 145 1 . 1 1 40 40 LEU HA H 40 3.629 3.629 3.762 -0.133 19821 146 1 . 1 1 40 40 LEU CA C 40 58.433 58.433 59.597 -1.164 19821 147 1 . 1 1 40 40 LEU H H 40 8.644 8.644 7.917 0.727 19821 148 1 . 1 1 41 41 THR N N 41 119.278 119.278 115.889 3.389 19821 149 1 . 1 1 41 41 THR HA H 41 3.839 3.839 4.037 -0.198 19821 150 1 . 1 1 41 41 THR CA C 41 67.573 67.573 66.986 0.587 19821 151 1 . 1 1 41 41 THR H H 41 8.169 8.169 7.765 0.404 19821 152 1 . 1 1 42 42 ARG N N 42 124.625 124.625 120.925 3.700 19821 153 1 . 1 1 42 42 ARG HA H 42 4.004 4.004 3.861 0.143 19821 154 1 . 1 1 42 42 ARG CA C 42 59.867 59.867 59.226 0.641 19821 155 1 . 1 1 42 42 ARG H H 42 7.748 7.748 8.345 -0.597 19821 156 1 . 1 1 43 43 LEU N N 43 120.115 120.115 122.377 -2.262 19821 157 1 . 1 1 43 43 LEU HA H 43 3.894 3.894 4.130 -0.236 19821 158 1 . 1 1 43 43 LEU CA C 43 58.135 58.135 60.315 -2.180 19821 159 1 . 1 1 43 43 LEU H H 43 7.963 7.963 8.327 -0.364 19821 160 1 . 1 1 44 44 HIS N N 44 123.297 123.297 120.635 2.662 19821 161 1 . 1 1 44 44 HIS HA H 44 4.407 4.407 4.320 0.087 19821 162 1 . 1 1 44 44 HIS CA C 44 59.688 59.688 59.587 0.101 19821 163 1 . 1 1 44 44 HIS H H 44 8.454 8.454 8.004 0.450 19821 164 1 . 1 1 45 45 GLN N N 45 124.648 124.648 117.977 6.671 19821 165 1 . 1 1 45 45 GLN HA H 45 3.821 3.821 3.989 -0.168 19821 166 1 . 1 1 45 45 GLN CA C 45 59.270 59.270 58.744 0.526 19821 167 1 . 1 1 45 45 GLN H H 45 8.626 8.626 8.293 0.333 19821 168 1 . 1 1 46 46 ARG N N 46 117.047 117.047 120.743 -3.696 19821 169 1 . 1 1 46 46 ARG HA H 46 4.169 4.169 4.383 -0.214 19821 170 1 . 1 1 46 46 ARG CA C 46 56.641 56.641 59.257 -2.616 19821 171 1 . 1 1 46 46 ARG H H 46 7.628 7.628 8.221 -0.593 19821 172 1 . 1 1 47 47 GLY N N 47 109.401 109.401 107.295 2.106 19821 173 1 . 1 1 47 47 GLY CA C 47 46.128 46.128 47.365 -1.237 19821 174 1 . 1 1 47 47 GLY H H 47 7.763 7.763 8.282 -0.519 19821 175 1 . 1 1 48 48 VAL N N 48 118.932 118.932 116.707 2.225 19821 176 1 . 1 1 48 48 VAL HA H 48 3.801 3.801 4.043 -0.242 19821 177 1 . 1 1 48 48 VAL CA C 48 64.168 64.168 62.623 1.546 19821 178 1 . 1 1 48 48 VAL H H 48 7.787 7.787 7.696 0.091 19821 179 1 . 1 1 49 49 ILE N N 49 110.494 110.494 117.870 -7.376 19821 180 1 . 1 1 49 49 ILE HA H 49 5.214 5.214 3.774 1.440 19821 181 1 . 1 1 49 49 ILE CA C 49 58.075 58.075 61.536 -3.461 19821 182 1 . 1 1 49 49 ILE H H 49 6.766 6.766 7.602 -0.836 19821 183 1 . 1 1 50 50 TYR N N 50 120.330 120.330 119.294 1.036 19821 184 1 . 1 1 50 50 TYR HA H 50 4.884 4.884 4.483 0.401 19821 185 1 . 1 1 50 50 TYR CA C 50 55.805 55.805 59.831 -4.026 19821 186 1 . 1 1 50 50 TYR H H 50 9.025 9.025 8.323 0.702 19821 187 1 . 1 1 51 51 ARG N N 51 120.608 120.608 113.877 6.731 19821 188 1 . 1 1 51 51 ARG HA H 51 4.957 4.957 5.114 -0.157 19821 189 1 . 1 1 51 51 ARG CA C 51 53.834 53.834 53.798 0.035 19821 190 1 . 1 1 51 51 ARG H H 51 8.511 8.511 7.419 1.092 19821 191 1 . 1 1 52 52 LYS N N 52 121.992 121.992 121.920 0.072 19821 192 1 . 1 1 52 52 LYS HA H 52 4.371 4.371 5.016 -0.645 19821 193 1 . 1 1 52 52 LYS CA C 52 55.626 55.626 54.412 1.214 19821 194 1 . 1 1 52 52 LYS H H 52 8.324 8.324 9.081 -0.757 19821 195 1 . 1 1 53 53 TRP N N 53 121.803 121.803 123.977 -2.174 19821 196 1 . 1 1 53 53 TRP HA H 53 4.996 4.996 5.095 -0.099 19821 197 1 . 1 1 53 53 TRP CA C 53 56.462 56.462 55.603 0.859 19821 198 1 . 1 1 53 53 TRP H H 53 8.457 8.457 8.349 0.108 19821 199 1 . 1 1 54 54 ARG N N 54 127.059 127.059 123.253 3.806 19821 200 1 . 1 1 54 54 ARG HA H 54 4.462 4.462 4.594 -0.132 19821 201 1 . 1 1 54 54 ARG CA C 54 55.088 55.088 54.559 0.529 19821 202 1 . 1 1 54 54 ARG H H 54 9.555 9.555 8.462 1.093 19821 203 1 . 1 1 55 55 HIS N N 55 127.930 127.930 120.963 6.967 19821 204 1 . 1 1 55 55 HIS HA H 55 5.089 5.089 5.120 -0.031 19821 205 1 . 1 1 55 55 HIS CA C 55 55.984 55.984 55.399 0.585 19821 206 1 . 1 1 55 55 HIS H H 55 9.019 9.019 8.761 0.258 19821 207 1 . 1 1 56 56 PHE N N 56 125.912 125.912 123.819 2.093 19821 208 1 . 1 1 56 56 PHE HA H 56 4.627 4.627 4.942 -0.315 19821 209 1 . 1 1 56 56 PHE CA C 56 58.195 58.195 56.682 1.513 19821 210 1 . 1 1 56 56 PHE H H 56 8.707 8.707 8.887 -0.180 19821 211 1 . 1 1 57 57 SER N N 57 124.434 124.434 122.034 2.400 19821 212 1 . 1 1 57 57 SER HA H 57 3.727 3.727 5.032 -1.305 19821 213 1 . 1 1 57 57 SER CA C 57 58.433 58.433 58.444 -0.011 19821 214 1 . 1 1 57 57 SER H H 57 8.829 8.829 8.823 0.006 19821 215 1 . 1 1 58 58 GLY N N 58 108.465 108.465 114.397 -5.932 19821 216 1 . 1 1 58 58 GLY CA C 58 45.769 45.769 44.918 0.851 19821 217 1 . 1 1 58 58 GLY H H 58 8.456 8.456 8.744 -0.288 19821 218 1 . 1 1 59 59 ARG N N 59 122.424 122.424 126.185 -3.761 19821 219 1 . 1 1 59 59 ARG HA H 59 4.381 4.381 3.824 0.557 19821 220 1 . 1 1 59 59 ARG CA C 59 54.849 54.849 56.676 -1.827 19821 221 1 . 1 1 59 59 ARG H H 59 7.803 7.803 9.036 -1.233 19821 222 1 . 1 1 60 60 LYS N N 60 121.613 121.613 116.675 4.938 19821 223 1 . 1 1 60 60 LYS HA H 60 5.041 5.041 3.969 1.072 19821 224 1 . 1 1 60 60 LYS CA C 60 55.122 55.122 56.189 -1.067 19821 225 1 . 1 1 60 60 LYS H H 60 7.912 7.912 8.276 -0.364 19821 226 1 . 1 1 61 61 TYR N N 61 122.435 122.435 120.437 1.998 19821 227 1 . 1 1 61 61 TYR HA H 61 4.902 4.902 4.660 0.242 19821 228 1 . 1 1 61 61 TYR CA C 61 56.522 56.522 56.274 0.248 19821 229 1 . 1 1 61 61 TYR H H 61 8.883 8.883 7.715 1.168 19821 230 1 . 1 1 62 62 ARG N N 62 127.580 127.580 123.659 3.921 19821 231 1 . 1 1 62 62 ARG HA H 62 3.766 3.766 4.829 -1.063 19821 232 1 . 1 1 62 62 ARG CA C 62 56.402 56.402 55.910 0.492 19821 233 1 . 1 1 62 62 ARG H H 62 9.197 9.197 8.458 0.739 19821 234 1 . 1 1 63 63 GLU N N 63 124.048 124.048 124.468 -0.420 19821 235 1 . 1 1 63 63 GLU HA H 63 4.426 4.426 4.536 -0.110 19821 236 1 . 1 1 63 63 GLU CA C 63 53.834 53.834 54.992 -1.158 19821 237 1 . 1 1 63 63 GLU H H 63 8.525 8.525 9.308 -0.783 19821 238 1 . 1 1 64 64 TYR N N 64 121.860 121.860 124.141 -2.281 19821 239 1 . 1 1 64 64 TYR HA H 64 4.536 4.536 4.369 0.167 19821 240 1 . 1 1 64 64 TYR CA C 64 57.358 57.358 57.558 -0.200 19821 241 1 . 1 1 64 64 TYR H H 64 8.578 8.578 8.799 -0.221 19821 242 1 . 1 1 65 65 CYS N N 65 119.180 119.180 122.877 -3.697 19821 243 1 . 1 1 65 65 CYS HA H 65 4.756 4.756 4.799 -0.043 19821 244 1 . 1 1 65 65 CYS CA C 65 53.177 53.177 57.506 -4.329 19821 245 1 . 1 1 65 65 CYS H H 65 8.313 8.313 8.325 -0.012 19821 246 1 . 1 1 66 66 LEU N N 66 125.298 125.298 122.327 2.971 19821 247 1 . 1 1 66 66 LEU HA H 66 4.151 4.151 4.992 -0.841 19821 248 1 . 1 1 66 66 LEU CA C 66 55.805 55.805 53.524 2.281 19821 249 1 . 1 1 66 66 LEU H H 66 8.917 8.917 8.989 -0.072 19821 250 1 . 1 1 67 67 LYS N N 67 126.834 126.834 121.752 5.082 19821 251 1 . 1 1 67 67 LYS HA H 67 4.169 4.169 4.998 -0.829 19821 252 1 . 1 1 67 67 LYS CA C 67 57.478 57.478 53.548 3.930 19821 253 1 . 1 1 67 67 LYS H H 67 7.966 7.966 9.076 -1.110 19821 254 1 . 1 1 68 68 HIS N N 68 122.718 122.718 124.028 -1.310 19821 255 1 . 1 1 68 68 HIS HA H 68 4.583 4.583 4.670 -0.087 19821 256 1 . 1 1 68 68 HIS CA C 68 55.566 55.566 56.651 -1.085 19821 257 1 . 1 1 68 68 HIS H H 68 8.648 8.648 8.589 0.059 19821 258 1 . 1 1 69 69 ARG N N 69 125.371 125.371 124.552 0.819 19821 259 1 . 1 1 69 69 ARG HA H 69 4.093 4.093 4.241 -0.148 19821 260 1 . 1 1 69 69 ARG CA C 69 56.940 56.940 57.185 -0.245 19821 261 1 . 1 1 69 69 ARG H H 69 8.334 8.334 8.450 -0.116 19821 262 1 . 1 1 70 70 ASP N N 70 123.332 123.332 120.891 2.441 19821 263 1 . 1 1 70 70 ASP HA H 70 4.427 4.427 4.667 -0.240 19821 264 1 . 1 1 70 70 ASP CA C 70 54.908 54.908 53.978 0.930 19821 265 1 . 1 1 70 70 ASP H H 70 8.400 8.400 8.145 0.255 19821 266 1 . 1 1 71 71 GLU N N 71 123.365 123.365 124.378 -1.013 19821 267 1 . 1 1 71 71 GLU HA H 71 4.077 4.077 4.063 0.014 19821 268 1 . 1 1 71 71 GLU CA C 71 57.484 57.484 58.042 -0.558 19821 269 1 . 1 1 71 71 GLU H H 71 8.300 8.300 8.469 -0.169 19821 270 1 . 1 1 72 72 LEU N N 72 123.444 123.444 124.380 -0.936 19821 271 1 . 1 1 72 72 LEU HA H 72 4.114 4.114 4.037 0.077 19821 272 1 . 1 1 72 72 LEU CA C 72 55.865 55.865 58.372 -2.507 19821 273 1 . 1 1 72 72 LEU H H 72 8.038 8.038 8.560 -0.522 19821 274 1 . 1 1 73 73 ALA N N 73 125.204 125.204 122.577 2.627 19821 275 1 . 1 1 73 73 ALA HA H 73 4.041 4.041 4.046 -0.005 19821 276 1 . 1 1 73 73 ALA CA C 73 53.475 53.475 54.808 -1.333 19821 277 1 . 1 1 73 73 ALA H H 73 7.890 7.890 8.237 -0.347 19821 278 1 . 1 1 74 74 ASP N N 74 120.369 120.369 119.138 1.231 19821 279 1 . 1 1 74 74 ASP HA H 74 4.407 4.407 4.328 0.079 19821 280 1 . 1 1 74 74 ASP CA C 74 54.790 54.790 56.575 -1.785 19821 281 1 . 1 1 74 74 ASP H H 74 7.980 7.980 8.087 -0.107 19821 282 1 . 1 1 75 75 LEU N N 75 123.629 123.629 120.311 3.318 19821 283 1 . 1 1 75 75 LEU HA H 75 3.978 3.978 3.981 -0.003 19821 284 1 . 1 1 75 75 LEU CA C 75 56.343 56.343 57.723 -1.380 19821 285 1 . 1 1 75 75 LEU H H 75 7.902 7.902 8.273 -0.371 19821 286 1 . 1 1 76 76 GLU N N 76 120.501 120.501 118.760 1.741 19821 287 1 . 1 1 76 76 GLU HA H 76 3.949 3.949 4.129 -0.180 19821 288 1 . 1 1 76 76 GLU CA C 76 57.239 57.239 59.034 -1.795 19821 289 1 . 1 1 76 76 GLU H H 76 7.994 7.994 7.798 0.197 19821 290 1 . 1 1 77 77 HIS N N 77 119.010 119.010 117.964 1.046 19821 291 1 . 1 1 77 77 HIS HA H 77 4.399 4.399 4.337 0.062 19821 292 1 . 1 1 77 77 HIS CA C 77 56.044 56.044 58.476 -2.432 19821 293 1 . 1 1 77 77 HIS H H 77 7.959 7.959 7.841 0.118 19821 stop_ save_